5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid

C10H12FNO3 — CID 59255056

IUPAC5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCc1c(F)cc(C(=O)O)c(=O)n1C(C)C
InChIInChI=1S/C10H12FNO3/c1-5(2)12-6(3)8(11)4-7(9(12)13)10(14)15/h4-5H,1-3H3,(H,14,15)
InChIKeyWOAPVZYOEOZDSG-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.57
Rot. Bonds2

About 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid

5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 59255056) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
PubChem CID59255056
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
SMILESCc1c(F)cc(C(=O)O)c(=O)n1C(C)C
InChIInChI=1S/C10H12FNO3/c1-5(2)12-6(3)8(11)4-7(9(12)13)10(14)15/h4-5H,1-3H3,(H,14,15)
InChIKeyWOAPVZYOEOZDSG-UHFFFAOYSA-N
XLogP1.57
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid (CID 59255056) is 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid is Cc1c(F)cc(C(=O)O)c(=O)n1C(C)C.
What is the InChIKey of 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is WOAPVZYOEOZDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-5(2)12-6(3)8(11)4-7(9(12)13)10(14)15/h4-5H,1-3H3,(H,14,15).
What are the key properties of 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid?
5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 213.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 59255056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).