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

C9H7F3N2O4 — CID 43354402

IUPAC2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H7F3N2O4/c10-9(11,12)5-2-1-4(8(18)14-5)7(17)13-3-6(15)16/h1-2H,3H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyKETLSJFMWUQIEO-UHFFFAOYSA-N
MW264.16 g/mol
LogP0.21
Rot. Bonds3

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

2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid (PubChem CID 43354402) has the molecular formula C9H7F3N2O4 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
PubChem CID43354402
Molecular FormulaC9H7F3N2O4
Molecular Weight264.16 g/mol
Exact Mass264.04
IUPAC Name2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C9H7F3N2O4/c10-9(11,12)5-2-1-4(8(18)14-5)7(17)13-3-6(15)16/h1-2H,3H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyKETLSJFMWUQIEO-UHFFFAOYSA-N
XLogP0.21
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, N-(2-hydroxynicotinoyl)-
CID 53562
Methyl N-({6-[chloro(difluoro)methyl]2 oxo-1,2-dihydropyridin-3-yl}carbonyl)glycinate
CID 59828244
2-[[6-[chloro(difluoro)methyl]-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
CID 141218762
3-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43170378
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43170817
3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43171619
3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 43354741
2-[methyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid
CID 43356215
methyl 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetate
CID 43409577
methyl N-(2-hydroxy-6-(trifluoromethyl)nicotinoyl)-N-methylglycinate
CID 43409776
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43469291
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]pentanoic acid
CID 43630550

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid (CID 43354402) is 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is KETLSJFMWUQIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O4/c10-9(11,12)5-2-1-4(8(18)14-5)7(17)13-3-6(15)16/h1-2H,3H2,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid?
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 264.16 g/mol, XLogP of 0.21, 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]acetic acid is sourced from PubChem (CID 43354402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).