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

C14H10Cl2FN3O — CID 115322726

IUPAC3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(-c3cc(Cl)ccc3F)c2n1
InChIInChI=1S/C14H10Cl2FN3O/c1-21-13-5-4-10-14(19-13)20(12(7-15)18-10)11-6-8(16)2-3-9(11)17/h2-6H,7H2,1H3
InChIKeyMXKQQFGMXQZRLQ-UHFFFAOYSA-N
MW326.16 g/mol
LogP3.96
Rot. Bonds3

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

3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine (PubChem CID 115322726) has the molecular formula C14H10Cl2FN3O and a molecular weight of 326.16 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
PubChem CID115322726
Molecular FormulaC14H10Cl2FN3O
Molecular Weight326.16 g/mol
Exact Mass325.02
IUPAC Name3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(-c3cc(Cl)ccc3F)c2n1
InChIInChI=1S/C14H10Cl2FN3O/c1-21-13-5-4-10-14(19-13)20(12(7-15)18-10)11-6-8(16)2-3-9(11)17/h2-6H,7H2,1H3
InChIKeyMXKQQFGMXQZRLQ-UHFFFAOYSA-N
XLogP3.96
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-3-(2-chloro-5-methylphenyl)-5-methoxyimidazo[4,5-b]pyridine
CID 107637795
2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141626
2-(2-chloroethyl)-3-(5-chloro-2-fluorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81140634
3-(2-bromo-5-methylphenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 82746394
2-(chloromethyl)-3-(3,5-dimethylphenyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322665
3-(5-chloro-2-methoxyphenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322136
5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 43660441
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
6-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840293
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
2-(2-chloroethyl)-3-(4-iodophenyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322637
6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine
CID 79301964

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine (CID 115322726) is 3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine is COc1ccc2nc(CCl)n(-c3cc(Cl)ccc3F)c2n1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine?
The InChIKey is MXKQQFGMXQZRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O/c1-21-13-5-4-10-14(19-13)20(12(7-15)18-10)11-6-8(16)2-3-9(11)17/h2-6H,7H2,1H3.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine?
3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine has a molecular weight of 326.16 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 115322726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).