3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid

C8H7F2NO3 — CID 130083953

IUPAC3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C8H7F2NO3/c1-3-2-4(6(9)10)5(8(13)14)11-7(3)12/h2,6H,1H3,(H,11,12)(H,13,14)
InChIKeyMHOUVLFGEOOLCW-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.32
Rot. Bonds2

About 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid

3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130083953) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130083953
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C8H7F2NO3/c1-3-2-4(6(9)10)5(8(13)14)11-7(3)12/h2,6H,1H3,(H,11,12)(H,13,14)
InChIKeyMHOUVLFGEOOLCW-UHFFFAOYSA-N
XLogP1.32
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130084060
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130110439
5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083825
3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile
CID 130076475
6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
CID 130079289
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
5-bromo-6-oxo-3-propan-2-yl-1H-pyridine-2-carboxylic acid
CID 84729551
5-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
CID 130079672
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807
5-(aminomethyl)-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 82407952
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130083473
5-cyano-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 82410221

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid (CID 130083953) is 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid is Cc1cc(C(F)F)c(C(=O)O)[nH]c1=O.
What is the InChIKey of 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is MHOUVLFGEOOLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-3-2-4(6(9)10)5(8(13)14)11-7(3)12/h2,6H,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid?
3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130083953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).