2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

C8H8ClF3N2O — CID 165153565

IUPAC2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1nccc(C(F)(F)F)c1C(N)=O.Cl
InChIInChI=1S/C8H7F3N2O.ClH/c1-4-6(7(12)14)5(2-3-13-4)8(9,10)11;/h2-3H,1H3,(H2,12,14);1H
InChIKeyGIPOEXKJCYLKFG-UHFFFAOYSA-N
MW240.61 g/mol
LogP1.93
Rot. Bonds1

About 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride

2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 165153565) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID165153565
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
SMILESCc1nccc(C(F)(F)F)c1C(N)=O.Cl
InChIInChI=1S/C8H7F3N2O.ClH/c1-4-6(7(12)14)5(2-3-13-4)8(9,10)11;/h2-3H,1H3,(H2,12,14);1H
InChIKeyGIPOEXKJCYLKFG-UHFFFAOYSA-N
XLogP1.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride (CID 165153565) is 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is Cc1nccc(C(F)(F)F)c1C(N)=O.Cl.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is GIPOEXKJCYLKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O.ClH/c1-4-6(7(12)14)5(2-3-13-4)8(9,10)11;/h2-3H,1H3,(H2,12,14);1H.
What are the key properties of 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride?
2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 240.61 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 165153565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).