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

C17H18ClN3 — CID 79279456

IUPAC2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2-c1ccc(C)c(C)c1
InChIInChI=1S/C17H18ClN3/c1-11-8-15-17(19-10-11)21(16(20-15)6-7-18)14-5-4-12(2)13(3)9-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyMUDRWYNIIBVVIO-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.13
Rot. Bonds3

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

2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79279456) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79279456
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2-c1ccc(C)c(C)c1
InChIInChI=1S/C17H18ClN3/c1-11-8-15-17(19-10-11)21(16(20-15)6-7-18)14-5-4-12(2)13(3)9-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyMUDRWYNIIBVVIO-UHFFFAOYSA-N
XLogP4.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.13
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

3-(4-bromophenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300717
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279129
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279729
6-bromo-2-(2-chloroethyl)-3-(3-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79278413
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279453
2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79280178
2-(chloromethyl)-3-(4-iodophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300786
2-(2-chloroethyl)-3-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301210
2-(2-chloroethyl)-3-(2-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278706
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269
2-(chloromethyl)-3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300713
2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
CID 79274031

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine (CID 79279456) is 2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCCl)n2-c1ccc(C)c(C)c1.
What is the InChIKey of 2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is MUDRWYNIIBVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-11-8-15-17(19-10-11)21(16(20-15)6-7-18)14-5-4-12(2)13(3)9-14/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 299.81 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79279456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).