1-(trifluoromethyl)-4H-pyridine-3-carboxamide

C7H7F3N2O — CID 175561646

IUPAC1-(trifluoromethyl)-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=CN(C(F)(F)F)C=CC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)12-3-1-2-5(4-12)6(11)13/h1,3-4H,2H2,(H2,11,13)
InChIKeyPHKNXABUYWVKKI-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.09
Rot. Bonds1

About 1-(trifluoromethyl)-4H-pyridine-3-carboxamide

1-(trifluoromethyl)-4H-pyridine-3-carboxamide (PubChem CID 175561646) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(trifluoromethyl)-4H-pyridine-3-carboxamide
PubChem CID175561646
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-(trifluoromethyl)-4H-pyridine-3-carboxamide
SMILESNC(=O)C1=CN(C(F)(F)F)C=CC1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)12-3-1-2-5(4-12)6(11)13/h1,3-4H,2H2,(H2,11,13)
InChIKeyPHKNXABUYWVKKI-UHFFFAOYSA-N
XLogP1.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4H-pyridine-3-carboxamide?
The IUPAC name of 1-(trifluoromethyl)-4H-pyridine-3-carboxamide (CID 175561646) is 1-(trifluoromethyl)-4H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(trifluoromethyl)-4H-pyridine-3-carboxamide?
The canonical SMILES for 1-(trifluoromethyl)-4H-pyridine-3-carboxamide is NC(=O)C1=CN(C(F)(F)F)C=CC1.
What is the InChIKey of 1-(trifluoromethyl)-4H-pyridine-3-carboxamide?
The InChIKey is PHKNXABUYWVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)12-3-1-2-5(4-12)6(11)13/h1,3-4H,2H2,(H2,11,13).
What are the key properties of 1-(trifluoromethyl)-4H-pyridine-3-carboxamide?
1-(trifluoromethyl)-4H-pyridine-3-carboxamide has a molecular weight of 192.14 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4H-pyridine-3-carboxamide is sourced from PubChem (CID 175561646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).