6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid

C16H16FNO2 — CID 114872887

IUPAC6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cccc(F)c2)c(C)cc1C(=O)O
InChIInChI=1S/C16H16FNO2/c1-3-5-14-13(16(19)20)8-10(2)15(18-14)11-6-4-7-12(17)9-11/h4,6-9H,3,5H2,1-2H3,(H,19,20)
InChIKeyNMKFDIXLORKUHE-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.85
Rot. Bonds4

About 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid

6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid (PubChem CID 114872887) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
PubChem CID114872887
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cccc(F)c2)c(C)cc1C(=O)O
InChIInChI=1S/C16H16FNO2/c1-3-5-14-13(16(19)20)8-10(2)15(18-14)11-6-4-7-12(17)9-11/h4,6-9H,3,5H2,1-2H3,(H,19,20)
InChIKeyNMKFDIXLORKUHE-UHFFFAOYSA-N
XLogP3.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid (CID 114872887) is 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid is CCCc1nc(-c2cccc(F)c2)c(C)cc1C(=O)O.
What is the InChIKey of 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
The InChIKey is NMKFDIXLORKUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-3-5-14-13(16(19)20)8-10(2)15(18-14)11-6-4-7-12(17)9-11/h4,6-9H,3,5H2,1-2H3,(H,19,20).
What are the key properties of 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 114872887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).