1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid

C9H7F2NO3 — CID 170948694

IUPAC1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c(=O)n(C(F)F)c1
InChIInChI=1S/C9H7F2NO3/c1-2-5-3-6(8(14)15)7(13)12(4-5)9(10)11/h2-4,9H,1H2,(H,14,15)
InChIKeyOVUXQUYYEBOJSG-UHFFFAOYSA-N
MW215.16 g/mol
LogP1.58
Rot. Bonds3

About 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid

1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170948694) has the molecular formula C9H7F2NO3 and a molecular weight of 215.16 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid
PubChem CID170948694
Molecular FormulaC9H7F2NO3
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid
SMILESC=Cc1cc(C(=O)O)c(=O)n(C(F)F)c1
InChIInChI=1S/C9H7F2NO3/c1-2-5-3-6(8(14)15)7(13)12(4-5)9(10)11/h2-4,9H,1H2,(H,14,15)
InChIKeyOVUXQUYYEBOJSG-UHFFFAOYSA-N
XLogP1.58
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid (CID 170948694) is 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid is C=Cc1cc(C(=O)O)c(=O)n(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is OVUXQUYYEBOJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO3/c1-2-5-3-6(8(14)15)7(13)12(4-5)9(10)11/h2-4,9H,1H2,(H,14,15).
What are the key properties of 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid?
1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 215.16 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-ethenyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170948694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).