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

C15H12Cl2FN3 — CID 81140634

IUPAC2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(-c3cc(Cl)ccc3F)c2n1
InChIInChI=1S/C15H12Cl2FN3/c1-9-2-5-12-15(19-9)21(14(20-12)6-7-16)13-8-10(17)3-4-11(13)18/h2-5,8H,6-7H2,1H3
InChIKeyNMIMJDAXHXTECD-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.30
Rot. Bonds3

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

2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 81140634) has the molecular formula C15H12Cl2FN3 and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine
PubChem CID81140634
Molecular FormulaC15H12Cl2FN3
Molecular Weight324.19 g/mol
Exact Mass323.04
IUPAC Name2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(-c3cc(Cl)ccc3F)c2n1
InChIInChI=1S/C15H12Cl2FN3/c1-9-2-5-12-15(19-9)21(14(20-12)6-7-16)13-8-10(17)3-4-11(13)18/h2-5,8H,6-7H2,1H3
InChIKeyNMIMJDAXHXTECD-UHFFFAOYSA-N
XLogP4.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.30
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

3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322726
2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141626
2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141074
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
2-(2-chloroethyl)-3-(2-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278706
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridine
CID 81139806
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269
2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81136447
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81135769
6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
CID 115470935
2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301210

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine (CID 81140634) is 2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine is Cc1ccc2nc(CCCl)n(-c3cc(Cl)ccc3F)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is NMIMJDAXHXTECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3/c1-9-2-5-12-15(19-9)21(14(20-12)6-7-16)13-8-10(17)3-4-11(13)18/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 324.19 g/mol, XLogP of 4.30, 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-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81140634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).