6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride

C7H6ClF3N2O2 — CID 175766042

IUPAC6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2.ClH/c8-7(9,10)4-1-5(13)12-2-3(4)6(11)14;/h1-2H,(H2,11,14)(H,12,13);1H
InChIKeyCNZWEWNCERZROT-UHFFFAOYSA-N
MW242.58 g/mol
LogP0.91
Rot. Bonds1

About 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride

6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 175766042) has the molecular formula C7H6ClF3N2O2 and a molecular weight of 242.58 g/mol. Its IUPAC name is 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID175766042
Molecular FormulaC7H6ClF3N2O2
Molecular Weight242.58 g/mol
Exact Mass242.01
IUPAC Name6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2.ClH/c8-7(9,10)4-1-5(13)12-2-3(4)6(11)14;/h1-2H,(H2,11,14)(H,12,13);1H
InChIKeyCNZWEWNCERZROT-UHFFFAOYSA-N
XLogP0.91
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.58
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride (CID 175766042) is 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is Cl.NC(=O)c1c[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is CNZWEWNCERZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2.ClH/c8-7(9,10)4-1-5(13)12-2-3(4)6(11)14;/h1-2H,(H2,11,14)(H,12,13);1H.
What are the key properties of 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride?
6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 242.58 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 175766042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).