2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine

C15H22ClN3 — CID 79293893

IUPAC2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine
SMILESCCC(CC)C(C)n1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C15H22ClN3/c1-5-12(6-2)11(4)19-13(9-16)18-14-10(3)7-8-17-15(14)19/h7-8,11-12H,5-6,9H2,1-4H3
InChIKeyGVFAXUMSJOSUEQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.48
Rot. Bonds5

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

2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293893) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293893
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine
SMILESCCC(CC)C(C)n1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C15H22ClN3/c1-5-12(6-2)11(4)19-13(9-16)18-14-10(3)7-8-17-15(14)19/h7-8,11-12H,5-6,9H2,1-4H3
InChIKeyGVFAXUMSJOSUEQ-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
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

CID 1530
CID 1530
CID 49971
CID 49971
CID 104954
CID 104954
CID 667720
CID 667720
CID 745769
CID 745769
CID 735319
CID 735319
CID 606670
CID 606670
CID 199307
CID 199307
CID 786430
CID 786430
CID 201136
CID 201136
CID 11344157
CID 11344157
CID 852492
CID 852492

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine (CID 79293893) is 2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine is CCC(CC)C(C)n1c(CCl)nc2c(C)ccnc21.
What is the InChIKey of 2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is GVFAXUMSJOSUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-5-12(6-2)11(4)19-13(9-16)18-14-10(3)7-8-17-15(14)19/h7-8,11-12H,5-6,9H2,1-4H3.
What are the key properties of 2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 279.81 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).