2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine

C12H16ClN3O — CID 81136366

IUPAC2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine
SMILESCOCC(C)n1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C12H16ClN3O/c1-8-4-5-10-12(14-8)16(9(2)7-17-3)11(6-13)15-10/h4-5,9H,6-7H2,1-3H3
InChIKeyUJHOVXFNTTVZQF-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.69
Rot. Bonds4

About 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 81136366) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine
PubChem CID81136366
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine
SMILESCOCC(C)n1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C12H16ClN3O/c1-8-4-5-10-12(14-8)16(9(2)7-17-3)11(6-13)15-10/h4-5,9H,6-7H2,1-3H3
InChIKeyUJHOVXFNTTVZQF-UHFFFAOYSA-N
XLogP2.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.69
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)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 81135382
3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylbutan-1-amine
CID 81136098
2-[3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 81138146
2-(chloromethyl)-6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazole
CID 62533238
5-bromo-2-(chloromethyl)-1-(1-methoxypropan-2-yl)benzimidazole
CID 43660026
2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine
CID 81136454
2-(chloromethyl)-5-fluoro-1-(1-methoxypropan-2-yl)-6-methylbenzimidazole
CID 103593202
2-(2-chloroethyl)-5-methyl-3-(1-methylsulfonylpropan-2-yl)imidazo[4,5-b]pyridine
CID 81135494
3-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-methylimidazo[4,5-b]pyridine
CID 81139142
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
CID 115322969
3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138578
2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine
CID 104829146

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine (CID 81136366) is 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine is COCC(C)n1c(CCl)nc2ccc(C)nc21.
What is the InChIKey of 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is UJHOVXFNTTVZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-4-5-10-12(14-8)16(9(2)7-17-3)11(6-13)15-10/h4-5,9H,6-7H2,1-3H3.
What are the key properties of 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 253.73 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81136366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).