2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid

C8H7F2NO4 — CID 130100308

IUPAC2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(=O)[nH]c1O
InChIInChI=1S/C8H7F2NO4/c9-6(10)4-1-3(2-5(12)13)7(14)11-8(4)15/h1,6H,2H2,(H,12,13)(H2,11,14,15)
InChIKeyJJMWLZCZLXQRIO-UHFFFAOYSA-N
MW219.14 g/mol
LogP0.65
Rot. Bonds3

About 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid

2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 130100308) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID130100308
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)c(=O)[nH]c1O
InChIInChI=1S/C8H7F2NO4/c9-6(10)4-1-3(2-5(12)13)7(14)11-8(4)15/h1,6H,2H2,(H,12,13)(H2,11,14,15)
InChIKeyJJMWLZCZLXQRIO-UHFFFAOYSA-N
XLogP0.65
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetic acid
CID 118649399
2-(6-Oxo-5-(trifluoromethyl)-1,6-dihydropyridin-3-yl)acetic acid
CID 131479593
2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
CID 136321754
4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118800466
2-(Difluoromethyl)-5-fluoro-6-hydroxypyridine-3-acetic acid
CID 118803918
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-4-acetic acid
CID 118809309
2-(Difluoromethyl)-6-hydroxy-5-(trifluoromethyl)pyridine-3-acetic acid
CID 118815129
2-(4-(Difluoromethyl)-2,6-dihydroxypyridin-3-yl)acetic acid
CID 118818260
2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 118829750
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethoxy)nicotinic acid
CID 118840940
2-(4-(Difluoromethyl)-2-fluoro-6-hydroxypyridin-3-yl)acetic acid
CID 118846243
2-(Difluoromethyl)-6-hydroxy-5-methylpyridine-3-acetic acid
CID 118854540

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid (CID 130100308) is 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1cc(C(F)F)c(=O)[nH]c1O.
What is the InChIKey of 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is JJMWLZCZLXQRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c9-6(10)4-1-3(2-5(12)13)7(14)11-8(4)15/h1,6H,2H2,(H,12,13)(H2,11,14,15).
What are the key properties of 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid has a molecular weight of 219.14 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 130100308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).