6-Chloro-3-pyridinemethanamine

C₆H₇ClN₂CAS 97004-04-1142.59 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₇ClN₂
Molar mass: 142.59 g/mol
Exact mass: 142.0298 Da
Boiling point: 112–114 °C (at NaN Torr)
logP: 1.19Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed87% of notifiers
H314 Causes severe skin burns and eye damage13% of notifiers
H315 Causes skin irritation87% of notifiers
H317 May cause an allergic skin reaction87% of notifiers
H318 Causes serious eye damage89.1% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

97004-04-1

SMILES

NCc1ccc(Cl)nc1

InChIKey

XPARFBOWIYMLMY-UHFFFAOYSA-N

InChI

InChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

3-Pyridinemethanamine, 6-chloro-
5-(Aminomethyl)-2-chloropyridine
2-Chloro-5-(aminomethyl)pyridine
(6-Chloro-3-pyridyl)methylamine
(2-Chloro-5-pyridyl)methylamine
6-Chloro-3-(aminomethyl)pyridine
((6-Chloropyridin-3-yl)methyl)amine
[(2-Chloropyridin-5-yl)methyl]amine
3-Aminomethyl-6-chloropyridine
(6-Chloropyridin-3-yl)methanamine
1-(6-Chloropyridin-3-yl)methanamine

Work with 6-Chloro-3-pyridinemethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-5-(chloromethyl)pyridine70258-18-361 % similar (6-Chloropyridin-3-yl)methanol21543-49-759 % similar 2-(6-Chloropyridin-3-yl)acetonitrile39891-09-353 % similar 2-(6-Chloropyridin-3-yl)acetic acid39891-13-949 % similar 5-(Aminomethyl)-2-(trifluoromethyl)pyridine387350-39-248 % similar 5-Amino-2-chloropyridine5350-93-648 % similar 2,6-Dichloropyridine-4-methylamine88579-63-948 % similar 4-Chlorobenzylamine104-86-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Chlorophenyl)hydrazine1073-69-4 2-Chloro-5-ethylpyrimidine111196-81-7 3-Amino-2-chloro-4-methylpyridine133627-45-9 (2-Chloropyridin-4-yl)methanamine144900-57-2 3-Amino-6-chloro-2-picoline164666-68-6 (4-Chloropyridin-2-yl)methanamine180748-30-5 (2-Chloropyridin-3-yl)methanamine205744-14-5 2-Amino-5-chloro-3-methylpyridine20712-16-7

Elsewhere

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