2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile

C8H5ClN4 — CID 130047648

IUPAC2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile
SMILESN#CCc1cncc2[nH]c(Cl)nc12
InChIInChI=1S/C8H5ClN4/c9-8-12-6-4-11-3-5(1-2-10)7(6)13-8/h3-4H,1H2,(H,12,13)
InChIKeyXAJDEIPLMOKHMM-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.68
Rot. Bonds1

About 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile

2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile (PubChem CID 130047648) has the molecular formula C8H5ClN4 and a molecular weight of 192.61 g/mol. Its IUPAC name is 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile
PubChem CID130047648
Molecular FormulaC8H5ClN4
Molecular Weight192.61 g/mol
Exact Mass192.02
IUPAC Name2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile
SMILESN#CCc1cncc2[nH]c(Cl)nc12
InChIInChI=1S/C8H5ClN4/c9-8-12-6-4-11-3-5(1-2-10)7(6)13-8/h3-4H,1H2,(H,12,13)
InChIKeyXAJDEIPLMOKHMM-UHFFFAOYSA-N
XLogP1.68
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-5-methyl-3-pyridinyl)acetonitrile
CID 118828135
2-(2-bromo-6-chloro-1H-benzimidazol-4-yl)acetonitrile
CID 130781560
2-(7-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)acetonitrile
CID 166058695
4-chloro-5-(cyanomethyl)pyridine-3-carbonyl chloride
CID 87727762
2-[4,5-bis(ethenyl)-3-pyridinyl]acetonitrile
CID 171567060
2-(2,5-dichloro-4-pyridinyl)acetonitrile
CID 84770229
ethane;2-isoquinolin-4-ylacetonitrile
CID 171567075
2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
CID 55266700
2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile
CID 130865843
6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
CID 130983027
2-(5-chloro-2-methyl-1H-indol-6-yl)acetonitrile
CID 84778135
2-(1,3-dihydrothieno[3,4-c]pyridin-7-yl)acetonitrile
CID 84767216

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile?
The IUPAC name of 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile (CID 130047648) is 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile.
What is the SMILES notation for 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile?
The canonical SMILES for 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile is N#CCc1cncc2[nH]c(Cl)nc12.
What is the InChIKey of 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile?
The InChIKey is XAJDEIPLMOKHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4/c9-8-12-6-4-11-3-5(1-2-10)7(6)13-8/h3-4H,1H2,(H,12,13).
What are the key properties of 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile?
2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile has a molecular weight of 192.61 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3H-imidazo[4,5-c]pyridin-7-yl)acetonitrile is sourced from PubChem (CID 130047648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).