4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid

C19H16FNO2S — CID 21471523

IUPAC4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C19H16FNO2S/c1-11(2)18-17(19(22)23)14(12-5-7-13(20)8-6-12)10-15(21-18)16-4-3-9-24-16/h3-11H,1-2H3,(H,22,23)
InChIKeyUERLYIOSWUBREJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.44
Rot. Bonds4

About 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid

4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 21471523) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID21471523
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C19H16FNO2S/c1-11(2)18-17(19(22)23)14(12-5-7-13(20)8-6-12)10-15(21-18)16-4-3-9-24-16/h3-11H,1-2H3,(H,22,23)
InChIKeyUERLYIOSWUBREJ-UHFFFAOYSA-N
XLogP5.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid (CID 21471523) is 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid is CC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is UERLYIOSWUBREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-11(2)18-17(19(22)23)14(12-5-7-13(20)8-6-12)10-15(21-18)16-4-3-9-24-16/h3-11H,1-2H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid?
4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 21471523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).