5-Isoquinolinamine,3-chloro-(9ci)

C9H7ClN2CAS 58142-49-7178.62 g/mol

Open in Covalent MOL file
NNH2Cl
Aryl halidePrimary amine

Properties

Molecular formula
C9H7ClN2
Molar mass
178.62 g/mol
Exact mass
178.0298 Da
logP
2.47Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
58142-49-7
SMILES
C1=CC2=CN=C(C=C2C(=C1)N)Cl
InChIKey
ZITUQCQEDBPHMJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClN2/c10-9-4-7-6(5-12-9)2-1-3-8(7)11/h1-5H,11H2

Weigh it out

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Names and synonyms

1 names
  • 3-Chloroisoquinolin-5-amine

Work with 5-Isoquinolinamine,3-chloro-(9ci)

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

3-Chloroisoquinoline19493-45-953 % similar 6-Chloropyridine-3,4-diamine89182-17-253 % similar Anthramine610-49-152 % similar 5-Aminoisoquinoline1125-60-652 % similar 4,6-Dichloropyridin-3-amine7321-93-950 % similar 8-Isoquinolinamine23687-27-647 % similar 6-Chloro-4-methyl-3-pyridinamine66909-38-447 % similar 2-Chloro-5-methyl-4-pyridinamine79055-62-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-7-chloroquinoline1198-40-9 1-(2-Chlorophenyl)imidazole51581-50-1 3-(4-Chlorophenyl)-1H-pyrazole59843-58-2 4-Chloro-2-methylquinazoline6484-24-8

Elsewhere

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