6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid

C17H18FNO3 — CID 22159898

IUPAC6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid
SMILESCCCc1c(C(=O)O)c(=O)c(C)c(-c2ccc(F)cc2)n1C
InChIInChI=1S/C17H18FNO3/c1-4-5-13-14(17(21)22)16(20)10(2)15(19(13)3)11-6-8-12(18)9-7-11/h6-9H,4-5H2,1-3H3,(H,21,22)
InChIKeyKSXDWJIQRWYEQA-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.15
Rot. Bonds4

About 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid

6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid (PubChem CID 22159898) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid
PubChem CID22159898
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid
SMILESCCCc1c(C(=O)O)c(=O)c(C)c(-c2ccc(F)cc2)n1C
InChIInChI=1S/C17H18FNO3/c1-4-5-13-14(17(21)22)16(20)10(2)15(19(13)3)11-6-8-12(18)9-7-11/h6-9H,4-5H2,1-3H3,(H,21,22)
InChIKeyKSXDWJIQRWYEQA-UHFFFAOYSA-N
XLogP3.15
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid (CID 22159898) is 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid is CCCc1c(C(=O)O)c(=O)c(C)c(-c2ccc(F)cc2)n1C.
What is the InChIKey of 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid?
The InChIKey is KSXDWJIQRWYEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-4-5-13-14(17(21)22)16(20)10(2)15(19(13)3)11-6-8-12(18)9-7-11/h6-9H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid?
6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid has a molecular weight of 303.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,5-dimethyl-4-oxo-2-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 22159898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).