6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid

C18H20FNO3 — CID 22159927

IUPAC6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid
SMILESCCCc1c(C(=O)O)c(=O)cc(-c2ccc(F)cc2)n1CCC
InChIInChI=1S/C18H20FNO3/c1-3-5-14-17(18(22)23)16(21)11-15(20(14)10-4-2)12-6-8-13(19)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyWPHQABYJWVDIBW-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.72
Rot. Bonds6

About 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid

6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid (PubChem CID 22159927) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid
PubChem CID22159927
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid
SMILESCCCc1c(C(=O)O)c(=O)cc(-c2ccc(F)cc2)n1CCC
InChIInChI=1S/C18H20FNO3/c1-3-5-14-17(18(22)23)16(21)11-15(20(14)10-4-2)12-6-8-13(19)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyWPHQABYJWVDIBW-UHFFFAOYSA-N
XLogP3.72
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid (CID 22159927) is 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid is CCCc1c(C(=O)O)c(=O)cc(-c2ccc(F)cc2)n1CCC.
What is the InChIKey of 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid?
The InChIKey is WPHQABYJWVDIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-3-5-14-17(18(22)23)16(21)11-15(20(14)10-4-2)12-6-8-13(19)9-7-12/h6-9,11H,3-5,10H2,1-2H3,(H,22,23).
What are the key properties of 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid?
6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid has a molecular weight of 317.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-oxo-1,2-dipropylpyridine-3-carboxylic acid is sourced from PubChem (CID 22159927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).