2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine

C15H13ClFN3O — CID 81141626

IUPAC2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(F)c(-n2c(CCl)nc3ccc(C)nc32)c1
InChIInChI=1S/C15H13ClFN3O/c1-9-3-6-12-15(18-9)20(14(8-16)19-12)13-7-10(21-2)4-5-11(13)17/h3-7H,8H2,1-2H3
InChIKeyAFQZWAWHRYHCPC-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.62
Rot. Bonds3

About 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 81141626) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine
PubChem CID81141626
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(F)c(-n2c(CCl)nc3ccc(C)nc32)c1
InChIInChI=1S/C15H13ClFN3O/c1-9-3-6-12-15(18-9)20(14(8-16)19-12)13-7-10(21-2)4-5-11(13)17/h3-7H,8H2,1-2H3
InChIKeyAFQZWAWHRYHCPC-UHFFFAOYSA-N
XLogP3.62
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine (CID 81141626) is 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine is COc1ccc(F)c(-n2c(CCl)nc3ccc(C)nc32)c1.
What is the InChIKey of 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is AFQZWAWHRYHCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-9-3-6-12-15(18-9)20(14(8-16)19-12)13-7-10(21-2)4-5-11(13)17/h3-7H,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 305.74 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-fluoro-5-methoxyphenyl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81141626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).