2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine

C17H18ClN3 — CID 79276029

IUPAC2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CCCl)nc3c(C)ccnc32)c(C)c1
InChIInChI=1S/C17H18ClN3/c1-11-4-5-14(13(3)10-11)21-15(6-8-18)20-16-12(2)7-9-19-17(16)21/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeySTQKPCRTFYARNF-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.13
Rot. Bonds3

About 2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79276029) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79276029
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CCCl)nc3c(C)ccnc32)c(C)c1
InChIInChI=1S/C17H18ClN3/c1-11-4-5-14(13(3)10-11)21-15(6-8-18)20-16-12(2)7-9-19-17(16)21/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeySTQKPCRTFYARNF-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

2-(2-chloroethyl)-3-(4-chloro-2-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 107637966
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79277940
3-(4-bromo-2-methylphenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79294010
3-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 107576170
3-(2-bromo-3-chlorophenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 103480677
3-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276192
2-(2-chloroethyl)-3-(4-fluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79275507
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
2-(2-chloroethyl)-3-(3-iodophenyl)-7-methylimidazo[4,5-b]pyridine
CID 79294083
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
2-(2-chloroethyl)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79362792

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine (CID 79276029) is 2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccc(-n2c(CCCl)nc3c(C)ccnc32)c(C)c1.
What is the InChIKey of 2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is STQKPCRTFYARNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-11-4-5-14(13(3)10-11)21-15(6-8-18)20-16-12(2)7-9-19-17(16)21/h4-5,7,9-10H,6,8H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-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-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79276029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).