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

C7H5F2NO3 — CID 67186515

IUPAC2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H5F2NO3/c8-6(9)5-3(7(12)13)1-2-4(11)10-5/h1-2,6H,(H,10,11)(H,12,13)
InChIKeyAQHUWMGXGIWJEQ-UHFFFAOYSA-N
MW189.12 g/mol
LogP1.01
Rot. Bonds2

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

2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 67186515) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID67186515
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H5F2NO3/c8-6(9)5-3(7(12)13)1-2-4(11)10-5/h1-2,6H,(H,10,11)(H,12,13)
InChIKeyAQHUWMGXGIWJEQ-UHFFFAOYSA-N
XLogP1.01
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 276660
6-Hydroxy-2-(trifluoromethyl)nicotinic acid
CID 17984792
6-Hydroxyquinolinic acid
CID 348131
1,6-Dihydro-2-(trifluoromethyl)-5-cyano-6-oxo-3-pyridinecarboxylic acid
CID 54488083
Methyl 2-(difluoromethyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 67188348
5-Bromo-6-oxo-2-(trifluoromethyl)-1,6-dihydropyridine-3-carboxylic acid
CID 67215006
2-oxo-6-(3,3,3-trifluoropropyl)-1H-pyridine-4-carboxylic acid
CID 68739209
5-cyano-2-(2-fluoroethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 68844545
Methyl 6-hydroxy-2-(trifluoromethyl)nicotinate
CID 72211958
2-Hydroxy-6-(trifluoromethyl)isonicotinic acid
CID 72212956
5-Fluoro-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 82412213
6-Oxo-2-(pentafluoroethyl)-1,6-dihydropyridine-3-carboxylic acid
CID 86611250

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 67186515) is 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is AQHUWMGXGIWJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-6(9)5-3(7(12)13)1-2-4(11)10-5/h1-2,6H,(H,10,11)(H,12,13).
What are the key properties of 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 189.12 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 67186515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).