2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine

C15H12Cl3N3 — CID 104727613

IUPAC2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(Cl)c(-n2c(CCCl)nc3cccnc32)cc1Cl
InChIInChI=1S/C15H12Cl3N3/c1-9-7-11(18)13(8-10(9)17)21-14(4-5-16)20-12-3-2-6-19-15(12)21/h2-3,6-8H,4-5H2,1H3
InChIKeyAFNQFTGRLXRXJI-UHFFFAOYSA-N
MW340.64 g/mol
LogP4.82
Rot. Bonds3

About 2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 104727613) has the molecular formula C15H12Cl3N3 and a molecular weight of 340.64 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID104727613
Molecular FormulaC15H12Cl3N3
Molecular Weight340.64 g/mol
Exact Mass339.01
IUPAC Name2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cc(Cl)c(-n2c(CCCl)nc3cccnc32)cc1Cl
InChIInChI=1S/C15H12Cl3N3/c1-9-7-11(18)13(8-10(9)17)21-14(4-5-16)20-12-3-2-6-19-15(12)21/h2-3,6-8H,4-5H2,1H3
InChIKeyAFNQFTGRLXRXJI-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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Related Compounds

3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104724676
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine
CID 79295127
3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81275828
2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
CID 79274031
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107368460
2-(2-chloroethyl)-1-(2,4-dichlorophenyl)-7-methylbenzimidazole
CID 115552924
2-(2-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79273871
2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
CID 114257731
2-(2-chloroethyl)-3-(2,5-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279269

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine (CID 104727613) is 2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine is Cc1cc(Cl)c(-n2c(CCCl)nc3cccnc32)cc1Cl.
What is the InChIKey of 2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is AFNQFTGRLXRXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3/c1-9-7-11(18)13(8-10(9)17)21-14(4-5-16)20-12-3-2-6-19-15(12)21/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[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-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 104727613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).