2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine

C15H22ClN3 — CID 103463014

IUPAC2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
SMILESCCC(C)(C)Cn1c(CCCl)nc2cc(C)cnc21
InChIInChI=1S/C15H22ClN3/c1-5-15(3,4)10-19-13(6-7-16)18-12-8-11(2)9-17-14(12)19/h8-9H,5-7,10H2,1-4H3
InChIKeyOQCCWUWSXHTNRC-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.96
Rot. Bonds5

About 2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 103463014) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID103463014
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
SMILESCCC(C)(C)Cn1c(CCCl)nc2cc(C)cnc21
InChIInChI=1S/C15H22ClN3/c1-5-15(3,4)10-19-13(6-7-16)18-12-8-11(2)9-17-14(12)19/h8-9H,5-7,10H2,1-4H3
InChIKeyOQCCWUWSXHTNRC-UHFFFAOYSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.96
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-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
1-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropan-2-amine
CID 82144185
2-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79301559
3-butan-2-yl-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301558
2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 113470630
2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine
CID 106036574
2-(2-chloroethyl)-6-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79306884
2-(2-chloroethyl)-6-methyl-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79278922
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79301647
2-(2-chloroethyl)-6-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79300995
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-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine (CID 103463014) is 2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine is CCC(C)(C)Cn1c(CCCl)nc2cc(C)cnc21.
What is the InChIKey of 2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is OQCCWUWSXHTNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-5-15(3,4)10-19-13(6-7-16)18-12-8-11(2)9-17-14(12)19/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 279.81 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 103463014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).