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

C8H6F3NO3 — CID 118831564

IUPAC2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(=O)c(F)c(C(F)F)[nH]1
InChIInChI=1S/C8H6F3NO3/c9-6-4(13)1-3(2-5(14)15)12-7(6)8(10)11/h1,8H,2H2,(H,12,13)(H,14,15)
InChIKeyUKJKLSDMSLYXDI-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.08
Rot. Bonds3

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

2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid (PubChem CID 118831564) 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-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid
PubChem CID118831564
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(=O)c(F)c(C(F)F)[nH]1
InChIInChI=1S/C8H6F3NO3/c9-6-4(13)1-3(2-5(14)15)12-7(6)8(10)11/h1,8H,2H2,(H,12,13)(H,14,15)
InChIKeyUKJKLSDMSLYXDI-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

2-[4-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-2-yl]acetic acid
CID 118801213
2-[6-(aminomethyl)-2-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetic acid
CID 133102873
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948
2-[4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118806945
6-(aminomethyl)-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130100144
2-[4-(bromomethyl)-2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130085027
2-[4-(difluoromethyl)-6-iodo-2-oxo-1H-pyridin-3-yl]acetic acid
CID 118807000
4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130079392
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644
2-[5-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridin-3-yl]acetic acid
CID 130079710
6-(chloromethyl)-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076657
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid (CID 118831564) is 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid is O=C(O)Cc1cc(=O)c(F)c(C(F)F)[nH]1.
What is the InChIKey of 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid?
The InChIKey is UKJKLSDMSLYXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-6-4(13)1-3(2-5(14)15)12-7(6)8(10)11/h1,8H,2H2,(H,12,13)(H,14,15).
What are the key properties of 2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetic acid?
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-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-2-yl]acetic acid is sourced from PubChem (CID 118831564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).