5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide

C13H7BrClN3O2 — CID 134183678

IUPAC5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESN#Cc1c(Cl)cccc1NC(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C13H7BrClN3O2/c14-7-4-8(12(19)17-6-7)13(20)18-11-3-1-2-10(15)9(11)5-16/h1-4,6H,(H,17,19)(H,18,20)
InChIKeyJXWSJGFXZXNFRO-UHFFFAOYSA-N
MW352.58 g/mol
LogP2.91
Rot. Bonds2

About 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide

5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 134183678) has the molecular formula C13H7BrClN3O2 and a molecular weight of 352.58 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID134183678
Molecular FormulaC13H7BrClN3O2
Molecular Weight352.58 g/mol
Exact Mass350.94
IUPAC Name5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESN#Cc1c(Cl)cccc1NC(=O)c1cc(Br)c[nH]c1=O
InChIInChI=1S/C13H7BrClN3O2/c14-7-4-8(12(19)17-6-7)13(20)18-11-3-1-2-10(15)9(11)5-16/h1-4,6H,(H,17,19)(H,18,20)
InChIKeyJXWSJGFXZXNFRO-UHFFFAOYSA-N
XLogP2.91
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-cyanophenyl)benzamide
CID 102229158
2-bromo-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 84559810
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
CID 84558594
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 91641935
2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide
CID 103886633
3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103826905
N-(2-bromo-3-chlorophenyl)-1H-indole-3-carboxamide
CID 103479873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 134183678) is 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide is N#Cc1c(Cl)cccc1NC(=O)c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JXWSJGFXZXNFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3O2/c14-7-4-8(12(19)17-6-7)13(20)18-11-3-1-2-10(15)9(11)5-16/h1-4,6H,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 352.58 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-2-cyanophenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 134183678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).