2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine

C14H20ClN3 — CID 79301559

IUPAC2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
SMILESCCC(CC)n1c(CCCl)nc2cc(C)cnc21
InChIInChI=1S/C14H20ClN3/c1-4-11(5-2)18-13(6-7-15)17-12-8-10(3)9-16-14(12)18/h8-9,11H,4-7H2,1-3H3
InChIKeyNTZOFWFNZXIERL-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.88
Rot. Bonds5

About 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine (PubChem CID 79301559) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
PubChem CID79301559
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
SMILESCCC(CC)n1c(CCCl)nc2cc(C)cnc21
InChIInChI=1S/C14H20ClN3/c1-4-11(5-2)18-13(6-7-15)17-12-8-10(3)9-16-14(12)18/h8-9,11H,4-7H2,1-3H3
InChIKeyNTZOFWFNZXIERL-UHFFFAOYSA-N
XLogP3.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.88
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-butan-2-yl-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301558
2-(2-chloroethyl)-6-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79300995
2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine
CID 79306285
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide
CID 79301792
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 79306291
2-(2-chloroethyl)-6-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79306884
2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
CID 103463014
2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine
CID 106036574
3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301841
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279129
3-(4-bromophenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300717

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine (CID 79301559) is 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine is CCC(CC)n1c(CCCl)nc2cc(C)cnc21.
What is the InChIKey of 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine?
The InChIKey is NTZOFWFNZXIERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-11(5-2)18-13(6-7-15)17-12-8-10(3)9-16-14(12)18/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine has a molecular weight of 265.79 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79301559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).