4-(trifluoromethyl)pyridine-3-carboxamide

C7H5F3N2O — CID 2782643

IUPAC4-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)
InChIKeyJUIWZYBJXUPIKF-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.20
Rot. Bonds1

About 4-(trifluoromethyl)pyridine-3-carboxamide

4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2782643) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2782643
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name4-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)
InChIKeyJUIWZYBJXUPIKF-UHFFFAOYSA-N
XLogP1.20
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(trifluoromethyl)pyridine-3-carboxamide (CID 2782643) is 4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1cnccc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JUIWZYBJXUPIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13).
What are the key properties of 4-(trifluoromethyl)pyridine-3-carboxamide?
4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 190.12 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2782643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).