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

C16H16ClN3 — CID 79293210

IUPAC2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCCc1cccc(-n2c(CCl)nc3c(C)ccnc32)c1
InChIInChI=1S/C16H16ClN3/c1-3-12-5-4-6-13(9-12)20-14(10-17)19-15-11(2)7-8-18-16(15)20/h4-9H,3,10H2,1-2H3
InChIKeyVAQVZABUSICTGF-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.03
Rot. Bonds3

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

2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293210) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293210
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCCc1cccc(-n2c(CCl)nc3c(C)ccnc32)c1
InChIInChI=1S/C16H16ClN3/c1-3-12-5-4-6-13(9-12)20-14(10-17)19-15-11(2)7-8-18-16(15)20/h4-9H,3,10H2,1-2H3
InChIKeyVAQVZABUSICTGF-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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Related Compounds

2-(chloromethyl)-3-(3-chlorophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79293061
2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79294083
3-(1-benzothiophen-5-yl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79278127
2-(chloromethyl)-7-methyl-3-(2,3,4-trifluorophenyl)imidazo[4,5-b]pyridine
CID 79276035
5-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorobenzonitrile
CID 79276502
3-(2-bromophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293211
3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294010
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
CID 106760332
2-(2-chloroethyl)-3-(4-fluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79275507
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276192
3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293725
3-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 102854339

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine (CID 79293210) is 2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine is CCc1cccc(-n2c(CCl)nc3c(C)ccnc32)c1.
What is the InChIKey of 2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is VAQVZABUSICTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-3-12-5-4-6-13(9-12)20-14(10-17)19-15-11(2)7-8-18-16(15)20/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(3-ethylphenyl)-7-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-(3-ethylphenyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).