2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid

C9H7F3N2O4 — CID 135362591

IUPAC2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESNC(=O)c1cc(C(F)(F)F)cn(CC(=O)O)c1=O
InChIInChI=1S/C9H7F3N2O4/c10-9(11,12)4-1-5(7(13)17)8(18)14(2-4)3-6(15)16/h1-2H,3H2,(H2,13,17)(H,15,16)
InChIKeyQCTTXPTVZWLSFO-UHFFFAOYSA-N
MW264.16 g/mol
LogP0.05
Rot. Bonds3

About 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid

2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 135362591) has the molecular formula C9H7F3N2O4 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID135362591
Molecular FormulaC9H7F3N2O4
Molecular Weight264.16 g/mol
Exact Mass264.04
IUPAC Name2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESNC(=O)c1cc(C(F)(F)F)cn(CC(=O)O)c1=O
InChIInChI=1S/C9H7F3N2O4/c10-9(11,12)4-1-5(7(13)17)8(18)14(2-4)3-6(15)16/h1-2H,3H2,(H2,13,17)(H,15,16)
InChIKeyQCTTXPTVZWLSFO-UHFFFAOYSA-N
XLogP0.05
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
2-[5-(Difluoromethyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid
CID 122240432
2-[5-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 135363600
2-[2-Oxo-3,5-bis(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458865
2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258882
2-[(2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260939
2-[(1-Methyl-2-oxopyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261115
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-prop-2-enylamino]acetic acid
CID 79262341
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264624
2-[(2-oxo-1H-pyridine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 114039661
1-(Carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 162571339

Frequently Asked Questions

What is the IUPAC name of 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 135362591) is 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid is NC(=O)c1cc(C(F)(F)F)cn(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is QCTTXPTVZWLSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O4/c10-9(11,12)4-1-5(7(13)17)8(18)14(2-4)3-6(15)16/h1-2H,3H2,(H2,13,17)(H,15,16).
What are the key properties of 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 264.16 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-carbamoyl-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 135362591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).