3-Amino-6-chloropyridine-2-carbonitrile

C₆H₄ClN₃CAS 95095-84-4153.57 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₆H₄ClN₃
Molar mass: 153.57 g/mol
Exact mass: 153.0094 Da
logP: 1.19Crippen estimate
Polar surface area: 62.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

95095-84-4

SMILES

C1=CC(=NC(=C1N)C#N)Cl

InChIKey

GGQNLFCQZACXET-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClN3/c7-6-2-1-4(9)5(3-8)10-6/h1-2H,9H2

Weigh it out

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

Work with 3-Amino-6-chloropyridine-2-carbonitrile

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

6-Chloro-2,3-diaminopyridine40851-95-452 % similar 2,6-Dichloro-3-pyridylamine62476-56-652 % similar 6-Chloro-3-nitropyridine-2-carbonitrile93683-65-949 % similar 3-Amino-2-bromo-6-chloropyridine1050501-88-648 % similar 3-Amino-6-chloro-2-picoline164666-68-648 % similar 2,6-Dichloropyridine-3-carbonitrile40381-90-647 % similar 3-Amino-2-pyridinecarbonitrile42242-11-547 % similar 3,6-Dichloropyrazine-2-carbonitrile356783-16-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-8 6-Chloro-1H-pyrazolo(4,3-c)pyridine1206979-33-0 5-Chloropyrazolo(1,5-a)pyrimidine29274-24-6 4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-0 2-Chloro-7H-pyrrolo[2,3-D]pyrimidine335654-06-3 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine3680-69-1 5-Chloro-3H-imidazo[4,5-B]pyridine52090-89-8 7-Chloropyrazolo[1,5-A]pyrimidine58347-49-2

Elsewhere

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