1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride

C8H10ClF3N2O — CID 174886749

IUPAC1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=CN(CC(F)(F)F)C=CC1
InChIInChI=1S/C8H9F3N2O.ClH/c9-8(10,11)5-13-3-1-2-6(4-13)7(12)14;/h1,3-4H,2,5H2,(H2,12,14);1H
InChIKeyGXJGLHHOWNDKOO-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.56
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride

1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride (PubChem CID 174886749) has the molecular formula C8H10ClF3N2O and a molecular weight of 242.63 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride
PubChem CID174886749
Molecular FormulaC8H10ClF3N2O
Molecular Weight242.63 g/mol
Exact Mass242.04
IUPAC Name1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=CN(CC(F)(F)F)C=CC1
InChIInChI=1S/C8H9F3N2O.ClH/c9-8(10,11)5-13-3-1-2-6(4-13)7(12)14;/h1,3-4H,2,5H2,(H2,12,14);1H
InChIKeyGXJGLHHOWNDKOO-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride (CID 174886749) is 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride is Cl.NC(=O)C1=CN(CC(F)(F)F)C=CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is GXJGLHHOWNDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O.ClH/c9-8(10,11)5-13-3-1-2-6(4-13)7(12)14;/h1,3-4H,2,5H2,(H2,12,14);1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride?
1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 242.63 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-4H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 174886749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).