2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine

C15H13ClFN3 — CID 79301562

IUPAC2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2-c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3/c1-9-6-13-15(18-8-9)20(14(19-13)10(2)16)12-5-3-4-11(17)7-12/h3-8,10H,1-2H3
InChIKeyUGVPKCRAUZTSJZ-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.17
Rot. Bonds2

About 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine

2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79301562) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79301562
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2-c1cccc(F)c1
InChIInChI=1S/C15H13ClFN3/c1-9-6-13-15(18-8-9)20(14(19-13)10(2)16)12-5-3-4-11(17)7-12/h3-8,10H,1-2H3
InChIKeyUGVPKCRAUZTSJZ-UHFFFAOYSA-N
XLogP4.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279306
2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279103
2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278529
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole
CID 103593292
6-bromo-2-(1-chloroethyl)-3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 79280598
2-(1-chloroethyl)-1-(3-fluorophenyl)-5-iodobenzimidazole
CID 66081816
6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280600
6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278037
6-bromo-2-(1-chloroethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79277845
6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine
CID 107576204
2-(1-chloroethyl)-6,7-difluoro-1-(3-methylphenyl)benzimidazole
CID 63547243

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine (CID 79301562) is 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(C(C)Cl)n2-c1cccc(F)c1.
What is the InChIKey of 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is UGVPKCRAUZTSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c1-9-6-13-15(18-8-9)20(14(19-13)10(2)16)12-5-3-4-11(17)7-12/h3-8,10H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 289.74 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79301562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).