2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine

C16H16ClN3 — CID 81135805

IUPAC2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCCc1ccccc1-n1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C16H16ClN3/c1-3-12-6-4-5-7-14(12)20-15(10-17)19-13-9-8-11(2)18-16(13)20/h4-9H,3,10H2,1-2H3
InChIKeyFUBFWGBTEJWQFD-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.03
Rot. Bonds3

About 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 81135805) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine
PubChem CID81135805
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCCc1ccccc1-n1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C16H16ClN3/c1-3-12-6-4-5-7-14(12)20-15(10-17)19-13-9-8-11(2)18-16(13)20/h4-9H,3,10H2,1-2H3
InChIKeyFUBFWGBTEJWQFD-UHFFFAOYSA-N
XLogP4.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine (CID 81135805) is 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine is CCc1ccccc1-n1c(CCl)nc2ccc(C)nc21.
What is the InChIKey of 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is FUBFWGBTEJWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-3-12-6-4-5-7-14(12)20-15(10-17)19-13-9-8-11(2)18-16(13)20/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 285.78 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81135805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).