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

C15H12ClF2N3 — CID 79279103

IUPAC2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2-c1cccc(F)c1F
InChIInChI=1S/C15H12ClF2N3/c1-8-6-11-15(19-7-8)21(14(20-11)9(2)16)12-5-3-4-10(17)13(12)18/h3-7,9H,1-2H3
InChIKeyLDXHUVGAXNTOMX-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.31
Rot. Bonds2

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

2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79279103) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79279103
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2-c1cccc(F)c1F
InChIInChI=1S/C15H12ClF2N3/c1-8-6-11-15(19-7-8)21(14(20-11)9(2)16)12-5-3-4-10(17)13(12)18/h3-7,9H,1-2H3
InChIKeyLDXHUVGAXNTOMX-UHFFFAOYSA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.31
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-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301562
2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278529
2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279306
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 61075050
6-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 115471164
2-(1-chloroethyl)-6,7-difluoro-1-(3-methylphenyl)benzimidazole
CID 63547243
2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301210
6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278037
4-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837748
5-(1-chloroethyl)-6-(2,3-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79276824
3-[(3-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279281

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine (CID 79279103) is 2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(C(C)Cl)n2-c1cccc(F)c1F.
What is the InChIKey of 2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is LDXHUVGAXNTOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c1-8-6-11-15(19-7-8)21(14(20-11)9(2)16)12-5-3-4-10(17)13(12)18/h3-7,9H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 307.73 g/mol, XLogP of 4.31, 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-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79279103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).