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

C10H9F3N2O4 — CID 79258882

IUPAC2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-15(4-8(17)18)9(19)6-1-2-7(16)14-3-6/h1-3H,4-5H2,(H,14,16)(H,17,18)
InChIKeyKHTHKKGHOPOWEE-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.46
Rot. Bonds4

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

2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258882) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258882
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC Name2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H9F3N2O4/c11-10(12,13)5-15(4-8(17)18)9(19)6-1-2-7(16)14-3-6/h1-3H,4-5H2,(H,14,16)(H,17,18)
InChIKeyKHTHKKGHOPOWEE-UHFFFAOYSA-N
XLogP0.46
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258882) is 2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KHTHKKGHOPOWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c11-10(12,13)5-15(4-8(17)18)9(19)6-1-2-7(16)14-3-6/h1-3H,4-5H2,(H,14,16)(H,17,18).
What are the key properties of 2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 278.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).