5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile

C15H10ClFN4 — CID 79276502

IUPAC5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile
SMILESCc1ccnc2c1nc(CCl)n2-c1ccc(F)c(C#N)c1
InChIInChI=1S/C15H10ClFN4/c1-9-4-5-19-15-14(9)20-13(7-16)21(15)11-2-3-12(17)10(6-11)8-18/h2-6H,7H2,1H3
InChIKeyCXHGBVNXKZBNMO-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.48
Rot. Bonds2

About 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile

5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile (PubChem CID 79276502) has the molecular formula C15H10ClFN4 and a molecular weight of 300.72 g/mol. Its IUPAC name is 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile
PubChem CID79276502
Molecular FormulaC15H10ClFN4
Molecular Weight300.72 g/mol
Exact Mass300.06
IUPAC Name5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile
SMILESCc1ccnc2c1nc(CCl)n2-c1ccc(F)c(C#N)c1
InChIInChI=1S/C15H10ClFN4/c1-9-4-5-19-15-14(9)20-13(7-16)21(15)11-2-3-12(17)10(6-11)8-18/h2-6H,7H2,1H3
InChIKeyCXHGBVNXKZBNMO-UHFFFAOYSA-N
XLogP3.48
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile 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-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
CID 79276035
2-(2-chloroethyl)-3-(4-fluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79275507
2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293061
3-(1-benzothiophen-5-yl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79278127
2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293210
3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 102854339
3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293725
2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79277940
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276192
3-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 107614175
3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294010

Frequently Asked Questions

What is the IUPAC name of 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile?
The IUPAC name of 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile (CID 79276502) is 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile is Cc1ccnc2c1nc(CCl)n2-c1ccc(F)c(C#N)c1.
What is the InChIKey of 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile?
The InChIKey is CXHGBVNXKZBNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4/c1-9-4-5-19-15-14(9)20-13(7-16)21(15)11-2-3-12(17)10(6-11)8-18/h2-6H,7H2,1H3.
What are the key properties of 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile?
5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile has a molecular weight of 300.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 79276502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).