2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid

C8H7F2NO3 — CID 118803672

IUPAC2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-3-4(8(13)14)2-5(12)11-6(3)7(9)10/h2,7H,1H3,(H,11,12)(H,13,14)
InChIKeyXBKFJXPVZQUDAR-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.32
Rot. Bonds2

About 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid

2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 118803672) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID118803672
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCc1c(C(=O)O)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-3-4(8(13)14)2-5(12)11-6(3)7(9)10/h2,7H,1H3,(H,11,12)(H,13,14)
InChIKeyXBKFJXPVZQUDAR-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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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid (CID 118803672) is 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid is Cc1c(C(=O)O)cc(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is XBKFJXPVZQUDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-3-4(8(13)14)2-5(12)11-6(3)7(9)10/h2,7H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid?
2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-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 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 118803672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).