2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C12H13F3N2O4 — CID 79264624

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cc(C)c(C(=O)N(CC(=O)O)CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H13F3N2O4/c1-6-3-7(2)16-10(20)9(6)11(21)17(4-8(18)19)5-12(13,14)15/h3H,4-5H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUGMNTGYOCJDRIM-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.08
Rot. Bonds4

About 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79264624) has the molecular formula C12H13F3N2O4 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79264624
Molecular FormulaC12H13F3N2O4
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cc(C)c(C(=O)N(CC(=O)O)CC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H13F3N2O4/c1-6-3-7(2)16-10(20)9(6)11(21)17(4-8(18)19)5-12(13,14)15/h3H,4-5H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUGMNTGYOCJDRIM-UHFFFAOYSA-N
XLogP1.08
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79264624) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1cc(C)c(C(=O)N(CC(=O)O)CC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UGMNTGYOCJDRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O4/c1-6-3-7(2)16-10(20)9(6)11(21)17(4-8(18)19)5-12(13,14)15/h3H,4-5H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 306.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79264624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).