2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine

C13H18ClN3 — CID 81135382

IUPAC2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine
SMILESCCCC(C)n1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C13H18ClN3/c1-4-5-10(3)17-12(8-14)16-11-7-6-9(2)15-13(11)17/h6-7,10H,4-5,8H2,1-3H3
InChIKeyCWKLVXUZCKNUBM-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.84
Rot. Bonds4

About 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine

2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine (PubChem CID 81135382) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine
PubChem CID81135382
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine
SMILESCCCC(C)n1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C13H18ClN3/c1-4-5-10(3)17-12(8-14)16-11-7-6-9(2)15-13(11)17/h6-7,10H,4-5,8H2,1-3H3
InChIKeyCWKLVXUZCKNUBM-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.84
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

3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylbutan-1-amine
CID 81136098
2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136366
2-(1-chloroethyl)-3-hexan-2-yl-5-methylimidazo[4,5-b]pyridine
CID 81136319
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
CID 115322969
2-(chloromethyl)-3-[1-(furan-2-yl)ethyl]-5-methylimidazo[4,5-b]pyridine
CID 81136454
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
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)-5-methyl-3-pentylimidazo[4,5-b]pyridine
CID 81136215
2-(2-chloroethyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazo[4,5-b]pyridine
CID 104829146
2-(chloromethyl)-5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 81139474
2-(chloromethyl)-1-pentan-2-yl-5-(trifluoromethyl)benzimidazole
CID 115502169

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine (CID 81135382) is 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine is CCCC(C)n1c(CCl)nc2ccc(C)nc21.
What is the InChIKey of 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is CWKLVXUZCKNUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-4-5-10(3)17-12(8-14)16-11-7-6-9(2)15-13(11)17/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine?
2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 251.76 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methyl-3-pentan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81135382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).