2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide

C7H4BrF3N2O — CID 50878544

IUPAC2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1Br
InChIInChI=1S/C7H4BrF3N2O/c8-5-3(6(12)14)1-2-4(13-5)7(9,10)11/h1-2H,(H2,12,14)
InChIKeySVPQGHARQRRPFL-UHFFFAOYSA-N
MW269.02 g/mol
LogP1.96
Rot. Bonds1

About 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide

2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 50878544) has the molecular formula C7H4BrF3N2O and a molecular weight of 269.02 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID50878544
Molecular FormulaC7H4BrF3N2O
Molecular Weight269.02 g/mol
Exact Mass267.95
IUPAC Name2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1Br
InChIInChI=1S/C7H4BrF3N2O/c8-5-3(6(12)14)1-2-4(13-5)7(9,10)11/h1-2H,(H2,12,14)
InChIKeySVPQGHARQRRPFL-UHFFFAOYSA-N
XLogP1.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.02
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103099018
2-azido-6-(trifluoromethyl)pyridine-3-carboxamide
CID 80583396
2-(2-sulfamoylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 115824731
2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869003
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869695
2-(2,3-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 170837724
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875830
2-butan-2-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877133
2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868936

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 50878544) is 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1Br.
What is the InChIKey of 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SVPQGHARQRRPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O/c8-5-3(6(12)14)1-2-4(13-5)7(9,10)11/h1-2H,(H2,12,14).
What are the key properties of 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide?
2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 269.02 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 50878544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).