3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid

C8H6F4N2O3 — CID 67467045

IUPAC3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid
SMILESNC(=O)c1ncc(C(F)(F)F)cc1F.O=CO
InChIInChI=1S/C7H4F4N2O.CH2O2/c8-4-1-3(7(9,10)11)2-13-5(4)6(12)14;2-1-3/h1-2H,(H2,12,14);1H,(H,2,3)
InChIKeyZETMQJBKCUGUFB-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.04
Rot. Bonds1

About 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid

3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid (PubChem CID 67467045) has the molecular formula C8H6F4N2O3 and a molecular weight of 254.14 g/mol. Its IUPAC name is 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid.

Molecular Properties

Compound Name3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid
PubChem CID67467045
Molecular FormulaC8H6F4N2O3
Molecular Weight254.14 g/mol
Exact Mass254.03
IUPAC Name3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid
SMILESNC(=O)c1ncc(C(F)(F)F)cc1F.O=CO
InChIInChI=1S/C7H4F4N2O.CH2O2/c8-4-1-3(7(9,10)11)2-13-5(4)6(12)14;2-1-3/h1-2H,(H2,12,14);1H,(H,2,3)
InChIKeyZETMQJBKCUGUFB-UHFFFAOYSA-N
XLogP1.04
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid?
The IUPAC name of 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid (CID 67467045) is 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid.
What is the SMILES notation for 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid?
The canonical SMILES for 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid is NC(=O)c1ncc(C(F)(F)F)cc1F.O=CO.
What is the InChIKey of 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid?
The InChIKey is ZETMQJBKCUGUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4N2O.CH2O2/c8-4-1-3(7(9,10)11)2-13-5(4)6(12)14;2-1-3/h1-2H,(H2,12,14);1H,(H,2,3).
What are the key properties of 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid?
3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid has a molecular weight of 254.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(trifluoromethyl)pyridine-2-carboxamide;formic acid is sourced from PubChem (CID 67467045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).