2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid

C8H7F2NO4 — CID 130100311

IUPAC2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1[nH]cc(C(F)F)c(=O)c1O
InChIInChI=1S/C8H7F2NO4/c9-8(10)3-2-11-4(1-5(12)13)7(15)6(3)14/h2,8,15H,1H2,(H,11,14)(H,12,13)
InChIKeyDSJBBSHZVMKGRW-UHFFFAOYSA-N
MW219.14 g/mol
LogP0.65
Rot. Bonds3

About 2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid

2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid (PubChem CID 130100311) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
PubChem CID130100311
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1[nH]cc(C(F)F)c(=O)c1O
InChIInChI=1S/C8H7F2NO4/c9-8(10)3-2-11-4(1-5(12)13)7(15)6(3)14/h2,8,15H,1H2,(H,11,14)(H,12,13)
InChIKeyDSJBBSHZVMKGRW-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-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133093442
2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
CID 130100302
2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118823198
2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118841203
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045
3-(chloromethyl)-5-(difluoromethyl)-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130085159
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948
5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridine-3-carboxylic acid
CID 130079670
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079469
3-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130110437
2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 118853919

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid (CID 130100311) is 2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid is O=C(O)Cc1[nH]cc(C(F)F)c(=O)c1O.
What is the InChIKey of 2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid?
The InChIKey is DSJBBSHZVMKGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c9-8(10)3-2-11-4(1-5(12)13)7(15)6(3)14/h2,8,15H,1H2,(H,11,14)(H,12,13).
What are the key properties of 2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid?
2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-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)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid is sourced from PubChem (CID 130100311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).