2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid

C8H7F2NO4 — CID 118818260

IUPAC2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)cc(=O)[nH]c1O
InChIInChI=1S/C8H7F2NO4/c9-7(10)3-1-5(12)11-8(15)4(3)2-6(13)14/h1,7H,2H2,(H,13,14)(H2,11,12,15)
InChIKeyVELKEMKXYOIHSO-UHFFFAOYSA-N
MW219.14 g/mol
LogP0.65
Rot. Bonds3

About 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid

2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 118818260) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID118818260
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(C(F)F)cc(=O)[nH]c1O
InChIInChI=1S/C8H7F2NO4/c9-7(10)3-1-5(12)11-8(15)4(3)2-6(13)14/h1,7H,2H2,(H,13,14)(H2,11,12,15)
InChIKeyVELKEMKXYOIHSO-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid (CID 118818260) is 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1c(C(F)F)cc(=O)[nH]c1O.
What is the InChIKey of 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is VELKEMKXYOIHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c9-7(10)3-1-5(12)11-8(15)4(3)2-6(13)14/h1,7H,2H2,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
2-[4-(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-[4-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 118818260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).