2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine

C13H16ClN3 — CID 79295049

IUPAC2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCC1(n2c(CCl)nc3cccnc32)CCCC1
InChIInChI=1S/C13H16ClN3/c1-13(6-2-3-7-13)17-11(9-14)16-10-5-4-8-15-12(10)17/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyQYRODZINEKOWMV-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.46
Rot. Bonds2

About 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine (PubChem CID 79295049) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine
PubChem CID79295049
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine
SMILESCC1(n2c(CCl)nc3cccnc32)CCCC1
InChIInChI=1S/C13H16ClN3/c1-13(6-2-3-7-13)17-11(9-14)16-10-5-4-8-15-12(10)17/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyQYRODZINEKOWMV-UHFFFAOYSA-N
XLogP3.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.46
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

2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79293376
6-bromo-2-(chloromethyl)-1-(1-methylcyclopentyl)benzimidazole
CID 65346626
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925
2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine
CID 114119985
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870709
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-(chloromethyl)-5-fluoro-6-methyl-1-(1-methylcyclopentyl)benzimidazole
CID 103593802
2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79294310
2-(chloromethyl)-3-[(3-ethyl-2-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 82741938
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113485709

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine (CID 79295049) is 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine is CC1(n2c(CCl)nc3cccnc32)CCCC1.
What is the InChIKey of 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine?
The InChIKey is QYRODZINEKOWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-13(6-2-3-7-13)17-11(9-14)16-10-5-4-8-15-12(10)17/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine has a molecular weight of 249.74 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79295049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).