2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid

C9H9F3N2O5 — CID 66791420

IUPAC2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid
SMILESNc1cccn(CC(=O)O)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H8N2O3.C2HF3O2/c8-5-2-1-3-9(7(5)12)4-6(10)11;3-2(4,5)1(6)7/h1-3H,4,8H2,(H,10,11);(H,6,7)
InChIKeyXSWULGARTPXCHW-UHFFFAOYSA-N
MW282.17 g/mol
LogP0.15
Rot. Bonds2

About 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid

2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 66791420) has the molecular formula C9H9F3N2O5 and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID66791420
Molecular FormulaC9H9F3N2O5
Molecular Weight282.17 g/mol
Exact Mass282.05
IUPAC Name2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid
SMILESNc1cccn(CC(=O)O)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H8N2O3.C2HF3O2/c8-5-2-1-3-9(7(5)12)4-6(10)11;3-2(4,5)1(6)7/h1-3H,4,8H2,(H,10,11);(H,6,7)
InChIKeyXSWULGARTPXCHW-UHFFFAOYSA-N
XLogP0.15
TPSA122.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Amino-2-oxopyridin-1(2H)-yl)acetic acid
CID 18469040
2-(3-Amino-2-oxo-1,2-dihydropyridin-1-yl)acetic acid hydrochloride
CID 71757205
2-[2-Oxo-6-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 81319986
[2-(3-Amino-2-oxo-1-pyridinyl)acetyl] 2,2,2-trifluoroacetate
CID 87152487
N-(1-ethyl-2-oxo-3-pyridinyl)-2,2,2-trifluoroacetamide
CID 167238340
2-[(3-fluoro-6-oxo-1H-pyridine-2-carbonyl)amino]acetic acid
CID 177934736
Difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814459
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62814794
2-(5-amino-2-oxo-1-pyridinyl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 62815495
2-(5-amino-2-oxo-1-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 62816171
2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-prop-2-enylamino]acetic acid
CID 79262341
2-[3-(2-Oxo-1-pyridinyl)propanoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264833

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid (CID 66791420) is 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid is Nc1cccn(CC(=O)O)c1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is XSWULGARTPXCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3.C2HF3O2/c8-5-2-1-3-9(7(5)12)4-6(10)11;3-2(4,5)1(6)7/h1-3H,4,8H2,(H,10,11);(H,6,7).
What are the key properties of 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid?
2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 282.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1-pyridinyl)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66791420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).