2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide

C8H4BrF2N3O — CID 119018264

IUPAC2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1cc(C(F)F)nc(Br)c1C(N)=O
InChIInChI=1S/C8H4BrF2N3O/c9-6-5(8(13)15)3(2-12)1-4(14-6)7(10)11/h1,7H,(H2,13,15)
InChIKeyNHVUQBWDJOWXGB-UHFFFAOYSA-N
MW276.04 g/mol
LogP1.75
Rot. Bonds2

About 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide

2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 119018264) has the molecular formula C8H4BrF2N3O and a molecular weight of 276.04 g/mol. Its IUPAC name is 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide
PubChem CID119018264
Molecular FormulaC8H4BrF2N3O
Molecular Weight276.04 g/mol
Exact Mass274.95
IUPAC Name2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide
SMILESN#Cc1cc(C(F)F)nc(Br)c1C(N)=O
InChIInChI=1S/C8H4BrF2N3O/c9-6-5(8(13)15)3(2-12)1-4(14-6)7(10)11/h1,7H,(H2,13,15)
InChIKeyNHVUQBWDJOWXGB-UHFFFAOYSA-N
XLogP1.75
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 51.75
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-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118993248
methyl 2-[2-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686057
methyl 4-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134686496
2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
CID 119014075
2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 119010970
3-chloro-4-cyano-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130071335
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134677832
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
CID 119016503
3-bromo-2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carbonitrile
CID 130108801
2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069543
2-acetyl-5-bromo-3-(difluoromethyl)benzonitrile
CID 171000752
methyl 2-[2-bromo-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetate
CID 171029553

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide (CID 119018264) is 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide is N#Cc1cc(C(F)F)nc(Br)c1C(N)=O.
What is the InChIKey of 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide?
The InChIKey is NHVUQBWDJOWXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2N3O/c9-6-5(8(13)15)3(2-12)1-4(14-6)7(10)11/h1,7H,(H2,13,15).
What are the key properties of 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide?
2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 276.04 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119018264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).