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

C9H6F5NO3 — CID 133101825

IUPAC2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO3/c10-7(11)4-1-3(2-5(16)17)6(8(18)15-4)9(12,13)14/h1,7H,2H2,(H,15,18)(H,16,17)
InChIKeyXTIQZUXFQRGFKL-UHFFFAOYSA-N
MW271.14 g/mol
LogP1.96
Rot. Bonds3

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

2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid (PubChem CID 133101825) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
PubChem CID133101825
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
SMILESO=C(O)Cc1cc(C(F)F)[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C9H6F5NO3/c10-7(11)4-1-3(2-5(16)17)6(8(18)15-4)9(12,13)14/h1,7H,2H2,(H,15,18)(H,16,17)
InChIKeyXTIQZUXFQRGFKL-UHFFFAOYSA-N
XLogP1.96
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(difluoromethyl)-4-nitro-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133102694
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102419
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 2-[3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 134686450
4-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118823010
4-(chloromethyl)-6-(difluoromethyl)-3-methyl-1H-pyridin-2-one
CID 130083768
methyl 4-(chloromethyl)-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 130085314
methyl 2-[6-(difluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134662199
2-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
CID 118704083
methyl 2-[4-(bromomethyl)-6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133102630
2-[6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 119012110

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid?
The IUPAC name of 2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid (CID 133101825) is 2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid?
The canonical SMILES for 2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid is O=C(O)Cc1cc(C(F)F)[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid?
The InChIKey is XTIQZUXFQRGFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c10-7(11)4-1-3(2-5(16)17)6(8(18)15-4)9(12,13)14/h1,7H,2H2,(H,15,18)(H,16,17).
What are the key properties of 2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid?
2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid has a molecular weight of 271.14 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid is sourced from PubChem (CID 133101825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).