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

C15H12Cl3N3 — CID 81141074

IUPAC2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(-c3ccc(Cl)c(Cl)c3)c2n1
InChIInChI=1S/C15H12Cl3N3/c1-9-2-5-13-15(19-9)21(14(20-13)6-7-16)10-3-4-11(17)12(18)8-10/h2-5,8H,6-7H2,1H3
InChIKeyIWGCMWZHAKEMJY-UHFFFAOYSA-N
MW340.64 g/mol
LogP4.82
Rot. Bonds3

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

2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 81141074) has the molecular formula C15H12Cl3N3 and a molecular weight of 340.64 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine
PubChem CID81141074
Molecular FormulaC15H12Cl3N3
Molecular Weight340.64 g/mol
Exact Mass339.01
IUPAC Name2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(-c3ccc(Cl)c(Cl)c3)c2n1
InChIInChI=1S/C15H12Cl3N3/c1-9-2-5-13-15(19-9)21(14(20-13)6-7-16)10-3-4-11(17)12(18)8-10/h2-5,8H,6-7H2,1H3
InChIKeyIWGCMWZHAKEMJY-UHFFFAOYSA-N
XLogP4.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.64
LogP ≤ 54.82
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-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine (CID 81141074) is 2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine is Cc1ccc2nc(CCCl)n(-c3ccc(Cl)c(Cl)c3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is IWGCMWZHAKEMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3/c1-9-2-5-13-15(19-9)21(14(20-13)6-7-16)10-3-4-11(17)12(18)8-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 340.64 g/mol, XLogP of 4.82, 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-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81141074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).