2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine

C12H7Cl2N3O — CID 1486133

IUPAC2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine
SMILESOn1c(-c2ccc(Cl)cc2Cl)nc2ncccc21
InChIInChI=1S/C12H7Cl2N3O/c13-7-3-4-8(9(14)6-7)12-16-11-10(17(12)18)2-1-5-15-11/h1-6,18H
InChIKeySTFIHXNALHEXSO-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.64
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine

2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine (PubChem CID 1486133) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine
PubChem CID1486133
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine
SMILESOn1c(-c2ccc(Cl)cc2Cl)nc2ncccc21
InChIInChI=1S/C12H7Cl2N3O/c13-7-3-4-8(9(14)6-7)12-16-11-10(17(12)18)2-1-5-15-11/h1-6,18H
InChIKeySTFIHXNALHEXSO-UHFFFAOYSA-N
XLogP3.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine (CID 1486133) is 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine is On1c(-c2ccc(Cl)cc2Cl)nc2ncccc21.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine?
The InChIKey is STFIHXNALHEXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-7-3-4-8(9(14)6-7)12-16-11-10(17(12)18)2-1-5-15-11/h1-6,18H.
What are the key properties of 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine?
2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine has a molecular weight of 280.11 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-hydroxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 1486133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).