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

C7H5F2NO3 — CID 130097188

IUPAC4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)cc1C(F)F
InChIInChI=1S/C7H5F2NO3/c8-6(9)3-1-5(11)10-2-4(3)7(12)13/h1-2,6H,(H,10,11)(H,12,13)
InChIKeyDZOBLTDAROUXKR-UHFFFAOYSA-N
MW189.12 g/mol
LogP1.01
Rot. Bonds2

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

4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 130097188) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID130097188
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)cc1C(F)F
InChIInChI=1S/C7H5F2NO3/c8-6(9)3-1-5(11)10-2-4(3)7(12)13/h1-2,6H,(H,10,11)(H,12,13)
InChIKeyDZOBLTDAROUXKR-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 130097188) is 4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is DZOBLTDAROUXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-6(9)3-1-5(11)10-2-4(3)7(12)13/h1-2,6H,(H,10,11)(H,12,13).
What are the key properties of 4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
4-(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 4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 130097188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).