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

C8H6F3NO3 — CID 118842948

IUPAC2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(C(F)F)c(F)c1=O
InChIInChI=1S/C8H6F3NO3/c9-5-6(8(10)11)12-2-3(7(5)15)1-4(13)14/h2,8H,1H2,(H,12,15)(H,13,14)
InChIKeyRBDKQCWUJOXAQQ-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.08
Rot. Bonds3

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

2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 118842948) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID118842948
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(C(F)F)c(F)c1=O
InChIInChI=1S/C8H6F3NO3/c9-5-6(8(10)11)12-2-3(7(5)15)1-4(13)14/h2,8H,1H2,(H,12,15)(H,13,14)
InChIKeyRBDKQCWUJOXAQQ-UHFFFAOYSA-N
XLogP1.08
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(bromomethyl)-2-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 130079455
6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
CID 118848607
2-[5-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130079710
3-[4-(carboxymethyl)-5-(difluoromethyl)-1H-pyrrol-3-yl]propanoic acid
CID 15200635
ethyl 6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxylate
CID 133106172
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid
CID 118831564
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-hydroxy-4-oxo-1H-pyridin-2-yl]acetic acid
CID 130100311
2-[3-amino-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetic acid
CID 133093442
2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 118842993
2-[4-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid
CID 118801213

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid (CID 118842948) is 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1c[nH]c(C(F)F)c(F)c1=O.
What is the InChIKey of 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is RBDKQCWUJOXAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-5-6(8(10)11)12-2-3(7(5)15)1-4(13)14/h2,8H,1H2,(H,12,15)(H,13,14).
What are the key properties of 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid?
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid has a molecular weight of 221.13 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 118842948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).