6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile

6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile

CAS: 1260381-90-5

Formula: C8H4ClN3

SMILES: ClC1=NC=C2C(NC=C2C#N)=C1

IUPAC: 6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbonitrile

InChI: InChI=1S/C8H4ClN3/c9-8-1-7-6(4-12-8)5(2-10)3-11-7/h1,3-4,11H

Composition: C (54.11%), H (2.27%), Cl (19.96%), N (23.66%)

Molar Mass: 177.59

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	177.0093748
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XSKAMWCVBVCUDF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.58
Topological Polar Surface Area	52.47
Polarizability	18.41
Ring Count	2
Rotatable Bond Count	0

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