6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine

C13H7Cl3FN3 — CID 107529612

IUPAC6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(Cl)c(-n2c(CCl)nc3cc(Cl)cnc32)c1
InChIInChI=1S/C13H7Cl3FN3/c14-5-12-19-10-3-7(15)6-18-13(10)20(12)11-4-8(17)1-2-9(11)16/h1-4,6H,5H2
InChIKeyPGBGDAZGSBOFGX-UHFFFAOYSA-N
MW330.58 g/mol
LogP4.61
Rot. Bonds2

About 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine

6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (PubChem CID 107529612) has the molecular formula C13H7Cl3FN3 and a molecular weight of 330.58 g/mol. Its IUPAC name is 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
PubChem CID107529612
Molecular FormulaC13H7Cl3FN3
Molecular Weight330.58 g/mol
Exact Mass328.97
IUPAC Name6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(Cl)c(-n2c(CCl)nc3cc(Cl)cnc32)c1
InChIInChI=1S/C13H7Cl3FN3/c14-5-12-19-10-3-7(15)6-18-13(10)20(12)11-4-8(17)1-2-9(11)16/h1-4,6H,5H2
InChIKeyPGBGDAZGSBOFGX-UHFFFAOYSA-N
XLogP4.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 54.61
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

6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107529559
3-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107791834
6-bromo-2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
3-(3-bromo-2-methylphenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107637697
3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300930
6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine
CID 83018919
3-bromo-4-[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 107791865
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79289374
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269
6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine
CID 79301964
1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 63545740

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (CID 107529612) is 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is Fc1ccc(Cl)c(-n2c(CCl)nc3cc(Cl)cnc32)c1.
What is the InChIKey of 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The InChIKey is PGBGDAZGSBOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FN3/c14-5-12-19-10-3-7(15)6-18-13(10)20(12)11-4-8(17)1-2-9(11)16/h1-4,6H,5H2.
What are the key properties of 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine has a molecular weight of 330.58 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 107529612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).