2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide

C13H7Cl2N3O — CID 60704758

IUPAC2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccnc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl2N3O/c14-11-4-3-9(6-8(11)7-16)18-13(19)10-2-1-5-17-12(10)15/h1-6H,(H,18,19)
InChIKeyUDWHTDPUMVQQPH-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.51
Rot. Bonds2

About 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide

2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide (PubChem CID 60704758) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide
PubChem CID60704758
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.12 g/mol
Exact Mass291.00
IUPAC Name2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccnc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl2N3O/c14-11-4-3-9(6-8(11)7-16)18-13(19)10-2-1-5-17-12(10)15/h1-6H,(H,18,19)
InChIKeyUDWHTDPUMVQQPH-UHFFFAOYSA-N
XLogP3.51
TPSA65.78 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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
N-(3-chloro-4-cyanophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861491
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
N-(4-chloro-3-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 112805668
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 103791300
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
N-(4-chloro-3-cyanophenyl)-2-fluoro-5-methylbenzamide
CID 62510457
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide (CID 60704758) is 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide is N#Cc1cc(NC(=O)c2cccnc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is UDWHTDPUMVQQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-11-4-3-9(6-8(11)7-16)18-13(19)10-2-1-5-17-12(10)15/h1-6H,(H,18,19).
What are the key properties of 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide?
2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 292.12 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 60704758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).