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

C13H7BrClN3O — CID 113255877

IUPAC2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(Br)c2)cc1Cl
InChIInChI=1S/C13H7BrClN3O/c14-12-5-8(3-4-17-12)13(19)18-10-2-1-9(7-16)11(15)6-10/h1-6H,(H,18,19)
InChIKeyWJPVAIZPKUIWNU-UHFFFAOYSA-N
MW336.58 g/mol
LogP3.62
Rot. Bonds2

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

2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide (PubChem CID 113255877) has the molecular formula C13H7BrClN3O and a molecular weight of 336.58 g/mol. Its IUPAC name is 2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
PubChem CID113255877
Molecular FormulaC13H7BrClN3O
Molecular Weight336.58 g/mol
Exact Mass334.95
IUPAC Name2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(Br)c2)cc1Cl
InChIInChI=1S/C13H7BrClN3O/c14-12-5-8(3-4-17-12)13(19)18-10-2-1-9(7-16)11(15)6-10/h1-6H,(H,18,19)
InChIKeyWJPVAIZPKUIWNU-UHFFFAOYSA-N
XLogP3.62
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.58
LogP ≤ 53.62
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

N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62241163
2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 113255679
N-(3-chloro-4-cyanophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62165803
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-(3-chloro-4-cyanophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861491
4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide
CID 26702751
N-(3-chloro-4-cyanophenyl)furan-3-carboxamide
CID 27033866
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
N-(3-chloro-4-cyanophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62165795
N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
CID 134015998
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-(2,6-dichlorophenyl)pyridine-4-carboxamide
CID 114037407

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide (CID 113255877) is 2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccnc(Br)c2)cc1Cl.
What is the InChIKey of 2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is WJPVAIZPKUIWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3O/c14-12-5-8(3-4-17-12)13(19)18-10-2-1-9(7-16)11(15)6-10/h1-6H,(H,18,19).
What are the key properties of 2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide?
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide has a molecular weight of 336.58 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 113255877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).