2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine

C15H13ClFN3 — CID 79292154

IUPAC2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(F)cc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C15H13ClFN3/c1-10-2-3-11(17)8-14(10)20-13-5-7-18-9-12(13)19-15(20)4-6-16/h2-3,5,7-9H,4,6H2,1H3
InChIKeyJENOZUDBUWKKQW-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.65
Rot. Bonds3

About 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine (PubChem CID 79292154) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
PubChem CID79292154
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(F)cc1-n1c(CCCl)nc2cnccc21
InChIInChI=1S/C15H13ClFN3/c1-10-2-3-11(17)8-14(10)20-13-5-7-18-9-12(13)19-15(20)4-6-16/h2-3,5,7-9H,4,6H2,1H3
InChIKeyJENOZUDBUWKKQW-UHFFFAOYSA-N
XLogP3.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.65
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

1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79291868
2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine
CID 79292778
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 107637663
2-(2-chloroethyl)-1-(2-chlorophenyl)imidazo[4,5-c]pyridine
CID 79292435
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
CID 43667053
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
CID 106760331
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
CID 43667403
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637764
1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine (CID 79292154) is 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine is Cc1ccc(F)cc1-n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is JENOZUDBUWKKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c1-10-2-3-11(17)8-14(10)20-13-5-7-18-9-12(13)19-15(20)4-6-16/h2-3,5,7-9H,4,6H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 289.74 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).