2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid

C8H7F2NO4 — CID 118841203

IUPAC2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(=O)c(O)c1C(F)F
InChIInChI=1S/C8H7F2NO4/c9-7(10)5-3(1-4(12)13)2-11-8(15)6(5)14/h2,7,14H,1H2,(H,11,15)(H,12,13)
InChIKeyATWIAXBHSQRBLJ-UHFFFAOYSA-N
MW219.14 g/mol
LogP0.65
Rot. Bonds3

About 2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid

2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 118841203) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID118841203
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(=O)c(O)c1C(F)F
InChIInChI=1S/C8H7F2NO4/c9-7(10)5-3(1-4(12)13)2-11-8(15)6(5)14/h2,7,14H,1H2,(H,11,15)(H,12,13)
InChIKeyATWIAXBHSQRBLJ-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-[5-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130079710
2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
CID 130100302
4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 130100336
2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093439
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 130100311
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
3-(difluoromethyl)-4-fluoro-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130079585
2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118823198
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid (CID 118841203) is 2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1c[nH]c(=O)c(O)c1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is ATWIAXBHSQRBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c9-7(10)5-3(1-4(12)13)2-11-8(15)6(5)14/h2,7,14H,1H2,(H,11,15)(H,12,13).
What are the key properties of 2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid?
2-[4-(difluoromethyl)-5-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)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 118841203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).