1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid

C9H9F2NO3 — CID 63937003

IUPAC1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(F)F
InChIInChI=1S/C9H9F2NO3/c1-5-2-3-6(9(14)15)8(13)12(5)4-7(10)11/h2-3,7H,4H2,1H3,(H,14,15)
InChIKeyPSUDVHJPRMZXLO-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.12
Rot. Bonds3

About 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid

1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 63937003) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID63937003
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(F)F
InChIInChI=1S/C9H9F2NO3/c1-5-2-3-6(9(14)15)8(13)12(5)4-7(10)11/h2-3,7H,4H2,1H3,(H,14,15)
InChIKeyPSUDVHJPRMZXLO-UHFFFAOYSA-N
XLogP1.12
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 63937003) is 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is PSUDVHJPRMZXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-5-2-3-6(9(14)15)8(13)12(5)4-7(10)11/h2-3,7H,4H2,1H3,(H,14,15).
What are the key properties of 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 217.17 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 63937003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).