5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide

C13H6Cl3N3O — CID 60628665

IUPAC5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl3N3O/c14-9-2-1-7(5-17)11(4-9)19-13(20)8-3-10(15)12(16)18-6-8/h1-4,6H,(H,19,20)
InChIKeyBSAZCEBTMRRZRQ-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.17
Rot. Bonds2

About 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide

5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide (PubChem CID 60628665) has the molecular formula C13H6Cl3N3O and a molecular weight of 326.57 g/mol. Its IUPAC name is 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
PubChem CID60628665
Molecular FormulaC13H6Cl3N3O
Molecular Weight326.57 g/mol
Exact Mass324.96
IUPAC Name5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H6Cl3N3O/c14-9-2-1-7(5-17)11(4-9)19-13(20)8-3-10(15)12(16)18-6-8/h1-4,6H,(H,19,20)
InChIKeyBSAZCEBTMRRZRQ-UHFFFAOYSA-N
XLogP4.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81226633
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
CID 60628744
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
2-chloro-N-(5-chloro-2-cyanophenyl)-5-hydroxybenzamide
CID 106501019
3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide
CID 159869900

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide (CID 60628665) is 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is BSAZCEBTMRRZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3N3O/c14-9-2-1-7(5-17)11(4-9)19-13(20)8-3-10(15)12(16)18-6-8/h1-4,6H,(H,19,20).
What are the key properties of 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide?
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 326.57 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 60628665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).