6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide

C12H7BrN4O — CID 170719912

IUPAC6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccc(Br)n2)cn1
InChIInChI=1S/C12H7BrN4O/c13-11-3-1-2-10(17-11)12(18)16-9-5-4-8(6-14)15-7-9/h1-5,7H,(H,16,18)
InChIKeyFKESVSMKAWNYSH-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.36
Rot. Bonds2

About 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide

6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 170719912) has the molecular formula C12H7BrN4O and a molecular weight of 303.12 g/mol. Its IUPAC name is 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide
PubChem CID170719912
Molecular FormulaC12H7BrN4O
Molecular Weight303.12 g/mol
Exact Mass301.98
IUPAC Name6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccc(Br)n2)cn1
InChIInChI=1S/C12H7BrN4O/c13-11-3-1-2-10(17-11)12(18)16-9-5-4-8(6-14)15-7-9/h1-5,7H,(H,16,18)
InChIKeyFKESVSMKAWNYSH-UHFFFAOYSA-N
XLogP2.36
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167983417
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 103910107
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
6-bromo-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 103874040
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 103889880
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
6-bromo-N-[4-(ethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 103875193

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide (CID 170719912) is 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2cccc(Br)n2)cn1.
What is the InChIKey of 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is FKESVSMKAWNYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN4O/c13-11-3-1-2-10(17-11)12(18)16-9-5-4-8(6-14)15-7-9/h1-5,7H,(H,16,18).
What are the key properties of 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide?
6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 303.12 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 170719912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).