6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde

C13H7Cl2N3O — CID 18426842

IUPAC6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)nc1
InChIInChI=1S/C13H7Cl2N3O/c14-8-3-11-12(4-9(8)15)18-13(17-11)10-2-1-7(6-19)5-16-10/h1-6H,(H,17,18)
InChIKeyKRNHHZJXZPMOEF-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.74
Rot. Bonds2

About 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde

6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde (PubChem CID 18426842) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.12 g/mol. Its IUPAC name is 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde
PubChem CID18426842
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.12 g/mol
Exact Mass291.00
IUPAC Name6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)nc1
InChIInChI=1S/C13H7Cl2N3O/c14-8-3-11-12(4-9(8)15)18-13(17-11)10-2-1-7(6-19)5-16-10/h1-6H,(H,17,18)
InChIKeyKRNHHZJXZPMOEF-UHFFFAOYSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde (CID 18426842) is 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)nc1.
What is the InChIKey of 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde?
The InChIKey is KRNHHZJXZPMOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-8-3-11-12(4-9(8)15)18-13(17-11)10-2-1-7(6-19)5-16-10/h1-6H,(H,17,18).
What are the key properties of 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde?
6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde has a molecular weight of 292.12 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 18426842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).