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

C14H10ClF2N3 — CID 81136447

IUPAC2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C14H10ClF2N3/c1-8-5-6-11-14(18-8)20(12(7-15)19-11)13-9(16)3-2-4-10(13)17/h2-6H,7H2,1H3
InChIKeyCFWLHGWIAQGQNA-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.75
Rot. Bonds2

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

2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 81136447) has the molecular formula C14H10ClF2N3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine
PubChem CID81136447
Molecular FormulaC14H10ClF2N3
Molecular Weight293.70 g/mol
Exact Mass293.05
IUPAC Name2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C14H10ClF2N3/c1-8-5-6-11-14(18-8)20(12(7-15)19-11)13-9(16)3-2-4-10(13)17/h2-6H,7H2,1H3
InChIKeyCFWLHGWIAQGQNA-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 53.75
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-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine
CID 81135805
2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141626
2-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-6-methylbenzonitrile
CID 107799678
2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81140634
2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 81135976
3-(2,6-difluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138584
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
2-(chloromethyl)-7-fluoro-1-methylbenzimidazole
CID 83428061
1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 81135613
2-(chloromethyl)-5-methyl-3-pentylimidazo[4,5-b]pyridine
CID 81136215
2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine (CID 81136447) is 2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine is Cc1ccc2nc(CCl)n(-c3c(F)cccc3F)c2n1.
What is the InChIKey of 2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is CFWLHGWIAQGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3/c1-8-5-6-11-14(18-8)20(12(7-15)19-11)13-9(16)3-2-4-10(13)17/h2-6H,7H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 293.70 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2,6-difluorophenyl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81136447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).