2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine

C14H20ClN3 — CID 79306285

IUPAC2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine
SMILESCCCC(CC)n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C14H20ClN3/c1-4-6-11(5-2)18-13(8-15)17-12-7-10(3)9-16-14(12)18/h7,9,11H,4-6,8H2,1-3H3
InChIKeyUUAJCYOHSBSUDW-UHFFFAOYSA-N
MW265.79 g/mol
LogP4.23
Rot. Bonds5

About 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine (PubChem CID 79306285) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine
PubChem CID79306285
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine
SMILESCCCC(CC)n1c(CCl)nc2cc(C)cnc21
InChIInChI=1S/C14H20ClN3/c1-4-6-11(5-2)18-13(8-15)17-12-7-10(3)9-16-14(12)18/h7,9,11H,4-6,8H2,1-3H3
InChIKeyUUAJCYOHSBSUDW-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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-(2-chloroethyl)-6-methyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79301559
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 79306291
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 79300800
3-butan-2-yl-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301558
2-(chloromethyl)-6-methyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79300727
methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79301226
3-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279285
6-chloro-2-(chloromethyl)-1-hexan-3-ylbenzimidazole
CID 113316350
5-chloro-2-(chloromethyl)-6-fluoro-1-hexan-3-ylbenzimidazole
CID 66109647
2-(chloromethyl)-1-hexan-3-yl-5,6-dimethoxybenzimidazole
CID 83003880
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
2-(2-chloroethyl)-6-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79300995

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine (CID 79306285) is 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine is CCCC(CC)n1c(CCl)nc2cc(C)cnc21.
What is the InChIKey of 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine?
The InChIKey is UUAJCYOHSBSUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-6-11(5-2)18-13(8-15)17-12-7-10(3)9-16-14(12)18/h7,9,11H,4-6,8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine has a molecular weight of 265.79 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-hexan-3-yl-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79306285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).