1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid

C7H5F2NO3 — CID 118693982

IUPAC1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1C(F)F
InChIInChI=1S/C7H5F2NO3/c8-7(9)10-4(6(12)13)2-1-3-5(10)11/h1-3,7H,(H,12,13)
InChIKeySAXVYJMTJVYCCT-UHFFFAOYSA-N
MW189.12 g/mol
LogP0.94
Rot. Bonds2

About 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid

1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid (PubChem CID 118693982) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid
PubChem CID118693982
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1C(F)F
InChIInChI=1S/C7H5F2NO3/c8-7(9)10-4(6(12)13)2-1-3-5(10)11/h1-3,7H,(H,12,13)
InChIKeySAXVYJMTJVYCCT-UHFFFAOYSA-N
XLogP0.94
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid
CID 12286524
Pyridine-1,6-dicarboxylic
CID 54265333
2-[2-Oxo-6-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 81319986
6-Oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-2-carboxylic acid
CID 86277098
1-(difluoromethyl)-2H-pyridine-6-carboxylic acid
CID 118693997
1-Methyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497669
6-Oxo-1-prop-2-enyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497862
1-Fluoro-6-oxopyridine-2-carboxylic acid
CID 150843727
2-Fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid
CID 81297756
2-Fluoro-2-(2-oxo-1-pyridinyl)acetic acid
CID 81298694
(E)-4-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]but-2-enoic acid
CID 81318783
2-Fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 81318784

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid (CID 118693982) is 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid is O=C(O)c1cccc(=O)n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid?
The InChIKey is SAXVYJMTJVYCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-7(9)10-4(6(12)13)2-1-3-5(10)11/h1-3,7H,(H,12,13).
What are the key properties of 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid?
1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid has a molecular weight of 189.12 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 118693982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).