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

C15H13ClFN3 — CID 79301210

IUPAC2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2-c1ccccc1F
InChIInChI=1S/C15H13ClFN3/c1-10-8-12-15(18-9-10)20(14(19-12)6-7-16)13-5-3-2-4-11(13)17/h2-5,8-9H,6-7H2,1H3
InChIKeyUQJZQXVEWXHLHX-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.65
Rot. Bonds3

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

2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79301210) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79301210
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2-c1ccccc1F
InChIInChI=1S/C15H13ClFN3/c1-10-8-12-15(18-9-10)20(14(19-12)6-7-16)13-5-3-2-4-11(13)17/h2-5,8-9H,6-7H2,1H3
InChIKeyUQJZQXVEWXHLHX-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

2-(2-chloroethyl)-3-(2-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278706
2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79280178
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279129
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279453
2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279456
3-(4-bromophenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300717
2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine
CID 79279663
2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300997
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280595

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine (CID 79301210) is 2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCCl)n2-c1ccccc1F.
What is the InChIKey of 2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is UQJZQXVEWXHLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c1-10-8-12-15(18-9-10)20(14(19-12)6-7-16)13-5-3-2-4-11(13)17/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]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)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79301210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).