3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride

C6H6ClF3N2O — CID 119030935

IUPAC3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.Nc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C6H5F3N2O.ClH/c7-6(8,9)4-2-1-3(10)5(12)11-4;/h1-2H,10H2,(H,11,12);1H
InChIKeyLHIXVYQOMGIIEV-UHFFFAOYSA-N
MW214.57 g/mol
LogP1.40
Rot. Bonds

About 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride

3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride (PubChem CID 119030935) has the molecular formula C6H6ClF3N2O and a molecular weight of 214.57 g/mol. Its IUPAC name is 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
PubChem CID119030935
Molecular FormulaC6H6ClF3N2O
Molecular Weight214.57 g/mol
Exact Mass214.01
IUPAC Name3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
SMILESCl.Nc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C6H5F3N2O.ClH/c7-6(8,9)4-2-1-3(10)5(12)11-4;/h1-2H,10H2,(H,11,12);1H
InChIKeyLHIXVYQOMGIIEV-UHFFFAOYSA-N
XLogP1.40
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.57
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride (CID 119030935) is 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride is Cl.Nc1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride?
The InChIKey is LHIXVYQOMGIIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O.ClH/c7-6(8,9)4-2-1-3(10)5(12)11-4;/h1-2H,10H2,(H,11,12);1H.
What are the key properties of 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride?
3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride has a molecular weight of 214.57 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 119030935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).