3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine

C14H9BrClF2N3 — CID 102854339

IUPAC3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2-c1cc(Br)c(F)cc1F
InChIInChI=1S/C14H9BrClF2N3/c1-7-2-3-19-14-13(7)20-12(6-16)21(14)11-4-8(15)9(17)5-10(11)18/h2-5H,6H2,1H3
InChIKeyFKOJZEJVZFETTO-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.51
Rot. Bonds2

About 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine

3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 102854339) has the molecular formula C14H9BrClF2N3 and a molecular weight of 372.60 g/mol. Its IUPAC name is 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID102854339
Molecular FormulaC14H9BrClF2N3
Molecular Weight372.60 g/mol
Exact Mass370.96
IUPAC Name3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2-c1cc(Br)c(F)cc1F
InChIInChI=1S/C14H9BrClF2N3/c1-7-2-3-19-14-13(7)20-12(6-16)21(14)11-4-8(15)9(17)5-10(11)18/h2-5H,6H2,1H3
InChIKeyFKOJZEJVZFETTO-UHFFFAOYSA-N
XLogP4.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293725
2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
CID 79276035
3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293211
3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294010
3-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 107614175
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile
CID 79276502
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
CID 106760332
7-methyl-3-(2,4,5-trifluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79294067
2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293061
1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107593132

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine (CID 102854339) is 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2-c1cc(Br)c(F)cc1F.
What is the InChIKey of 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is FKOJZEJVZFETTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2N3/c1-7-2-3-19-14-13(7)20-12(6-16)21(14)11-4-8(15)9(17)5-10(11)18/h2-5H,6H2,1H3.
What are the key properties of 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine?
3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 372.60 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 102854339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).