3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile

C15H10Cl2N4 — CID 107809217

IUPAC3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
SMILESCC(Cl)c1nc2cccnc2n1-c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10Cl2N4/c1-9(16)14-20-12-3-2-6-19-15(12)21(14)13-5-4-10(8-18)7-11(13)17/h2-7,9H,1H3
InChIKeyCIFMUWKBPZLETJ-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.25
Rot. Bonds2

About 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile

3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile (PubChem CID 107809217) has the molecular formula C15H10Cl2N4 and a molecular weight of 317.18 g/mol. Its IUPAC name is 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
PubChem CID107809217
Molecular FormulaC15H10Cl2N4
Molecular Weight317.18 g/mol
Exact Mass316.03
IUPAC Name3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
SMILESCC(Cl)c1nc2cccnc2n1-c1ccc(C#N)cc1Cl
InChIInChI=1S/C15H10Cl2N4/c1-9(16)14-20-12-3-2-6-19-15(12)21(14)13-5-4-10(8-18)7-11(13)17/h2-7,9H,1H3
InChIKeyCIFMUWKBPZLETJ-UHFFFAOYSA-N
XLogP4.25
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile 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

5-bromo-2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 82694229
4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 59706942
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
4-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxybenzonitrile
CID 104849674
2-(1-chloroethyl)-3-(3-chlorophenyl)benzimidazole-5-carbonitrile
CID 104715320
4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 15005396
4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809094
2-(1-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79274024
3-chloro-4-(2,5-dimethylpyrrol-1-yl)benzonitrile
CID 107808307
1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid
CID 174216623
N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide
CID 166107257
3-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
CID 63087366

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile?
The IUPAC name of 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile (CID 107809217) is 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile?
The canonical SMILES for 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile is CC(Cl)c1nc2cccnc2n1-c1ccc(C#N)cc1Cl.
What is the InChIKey of 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile?
The InChIKey is CIFMUWKBPZLETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4/c1-9(16)14-20-12-3-2-6-19-15(12)21(14)13-5-4-10(8-18)7-11(13)17/h2-7,9H,1H3.
What are the key properties of 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile?
3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile has a molecular weight of 317.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 107809217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).