2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid

C10H9F3N2O4 — CID 43170817

IUPAC2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H9F3N2O4/c1-4(9(18)19)14-7(16)5-2-3-6(10(11,12)13)15-8(5)17/h2-4H,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyXVIMIRXEZGFDMO-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.60
Rot. Bonds3

About 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid

2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 43170817) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
PubChem CID43170817
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H9F3N2O4/c1-4(9(18)19)14-7(16)5-2-3-6(10(11,12)13)15-8(5)17/h2-4H,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyXVIMIRXEZGFDMO-UHFFFAOYSA-N
XLogP0.60
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65310475
N-[(1R)-1-cyclopropylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 33044492
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 110001816
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 30100320
N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119627243
N-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110907
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 51646125
N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106164652
N-[[4-(methanesulfonamido)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464436
N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464930
2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81341001
N-(2-hydroxy-2-phenylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 111825067

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid (CID 43170817) is 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is CC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is XVIMIRXEZGFDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c1-4(9(18)19)14-7(16)5-2-3-6(10(11,12)13)15-8(5)17/h2-4H,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid?
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 278.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43170817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).