2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine

C15H22ClN3 — CID 79293815

IUPAC2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine
SMILESCCCC(CC)n1c(CCCl)nc2c(C)ccnc21
InChIInChI=1S/C15H22ClN3/c1-4-6-12(5-2)19-13(7-9-16)18-14-11(3)8-10-17-15(14)19/h8,10,12H,4-7,9H2,1-3H3
InChIKeyYYFDOOQZGWEZPR-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.27
Rot. Bonds6

About 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293815) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine
PubChem CID79293815
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine
SMILESCCCC(CC)n1c(CCCl)nc2c(C)ccnc21
InChIInChI=1S/C15H22ClN3/c1-4-6-12(5-2)19-13(7-9-16)18-14-11(3)8-10-17-15(14)19/h8,10,12H,4-7,9H2,1-3H3
InChIKeyYYFDOOQZGWEZPR-UHFFFAOYSA-N
XLogP4.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.27
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)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 79293024
2-(2-chloroethyl)-7-methyl-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79276019
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
2-(2-chloroethyl)-3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridine
CID 107817140
2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79293597
2-(2-chloroethyl)-7-methyl-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79277190
3-butan-2-yl-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293279
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 79293893
2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79362792
N-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004808
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine (CID 79293815) is 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine is CCCC(CC)n1c(CCCl)nc2c(C)ccnc21.
What is the InChIKey of 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine?
The InChIKey is YYFDOOQZGWEZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-4-6-12(5-2)19-13(7-9-16)18-14-11(3)8-10-17-15(14)19/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine has a molecular weight of 279.81 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).