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

C8H7F2NO4 — CID 130100302

IUPAC2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C8H7F2NO4/c9-7(10)4-2-11-8(15)3(6(4)14)1-5(12)13/h2,7H,1H2,(H,12,13)(H2,11,14,15)
InChIKeyJOWCPROTTPQJFJ-UHFFFAOYSA-N
MW219.14 g/mol
LogP0.65
Rot. Bonds3

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

2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 130100302) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID130100302
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c(O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C8H7F2NO4/c9-7(10)4-2-11-8(15)3(6(4)14)1-5(12)13/h2,7H,1H2,(H,12,13)(H2,11,14,15)
InChIKeyJOWCPROTTPQJFJ-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)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
2-[5-(difluoromethyl)-3-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 130100311
2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118841203
2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093439
2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118823198
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118806945
2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118807000
methyl 3-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 133103037
3-amino-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130104845

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid (CID 130100302) is 2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1c(O)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is JOWCPROTTPQJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c9-7(10)4-2-11-8(15)3(6(4)14)1-5(12)13/h2,7H,1H2,(H,12,13)(H2,11,14,15).
What are the key properties of 2-[5-(difluoromethyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid?
2-[5-(difluoromethyl)-4-hydroxy-2-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)-4-hydroxy-2-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 130100302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).