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

C15H14ClN3O — CID 79300997

IUPAC2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCOc1ccccc1-n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C15H14ClN3O/c1-10-7-11-15(17-9-10)19(14(8-16)18-11)12-5-3-4-6-13(12)20-2/h3-7,9H,8H2,1-2H3
InChIKeyJPOKHJUHAJDSKD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.48
Rot. Bonds3

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

2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79300997) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79300997
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCOc1ccccc1-n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C15H14ClN3O/c1-10-7-11-15(17-9-10)19(14(8-16)18-11)12-5-3-4-6-13(12)20-2/h3-7,9H,8H2,1-2H3
InChIKeyJPOKHJUHAJDSKD-UHFFFAOYSA-N
XLogP3.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.48
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)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine
CID 79279663
3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300930
2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301210
2-(chloromethyl)-3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300713
2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300786
2-(chloromethyl)-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104715332
6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
CID 79302952
6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
CID 79278416
3-(3-bromo-2-methylphenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107637697
2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79280178
4-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-3-methoxybenzonitrile
CID 104849674
6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 79278638

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine (CID 79300997) is 2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine is COc1ccccc1-n1c(CCl)nc2cc(C)cnc21.
What is the InChIKey of 2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is JPOKHJUHAJDSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-10-7-11-15(17-9-10)19(14(8-16)18-11)12-5-3-4-6-13(12)20-2/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 287.75 g/mol, XLogP of 3.48, 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-methoxyphenyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79300997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).