5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C8H5BrF4N2O — CID 172610049

IUPAC5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncc(Br)cc1F
InChIInChI=1S/C8H5BrF4N2O/c9-4-1-5(10)6(14-2-4)7(16)15-3-8(11,12)13/h1-2H,3H2,(H,15,16)
InChIKeyQXUVKCPRACDVLV-UHFFFAOYSA-N
MW301.04 g/mol
LogP2.28
Rot. Bonds2

About 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 172610049) has the molecular formula C8H5BrF4N2O and a molecular weight of 301.04 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID172610049
Molecular FormulaC8H5BrF4N2O
Molecular Weight301.04 g/mol
Exact Mass299.95
IUPAC Name5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1ncc(Br)cc1F
InChIInChI=1S/C8H5BrF4N2O/c9-4-1-5(10)6(14-2-4)7(16)15-3-8(11,12)13/h1-2H,3H2,(H,15,16)
InChIKeyQXUVKCPRACDVLV-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.04
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 155923576
5-bromo-3-fluoro-N-propylpyridine-2-carboxamide
CID 146027056
5-bromo-N-cyclopropyl-3-fluoropyridine-2-carboxamide
CID 146026980
5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 70896660
1-(5-bromo-3-fluoro-2-pyridinyl)ethanethione
CID 165125604
4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 146275233
3,5-difluoro-N-(2-methoxy-2-methylpropyl)pyridine-2-carboxamide
CID 50956881
5-bromo-2-chloro-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-carboxamide
CID 104858028
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 7535357
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579011

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 172610049) is 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is O=C(NCC(F)(F)F)c1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is QXUVKCPRACDVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4N2O/c9-4-1-5(10)6(14-2-4)7(16)15-3-8(11,12)13/h1-2H,3H2,(H,15,16).
What are the key properties of 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 301.04 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 172610049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).