5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid

C14H9NO2S — CID 59335660

IUPAC5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccnc3)ccc2s1
InChIInChI=1S/C14H9NO2S/c16-14(17)13-7-11-6-9(3-4-12(11)18-13)10-2-1-5-15-8-10/h1-8H,(H,16,17)
InChIKeyVWQDDXSFIOKIFL-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.66
Rot. Bonds2

About 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid

5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid (PubChem CID 59335660) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid
PubChem CID59335660
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(-c3cccnc3)ccc2s1
InChIInChI=1S/C14H9NO2S/c16-14(17)13-7-11-6-9(3-4-12(11)18-13)10-2-1-5-15-8-10/h1-8H,(H,16,17)
InChIKeyVWQDDXSFIOKIFL-UHFFFAOYSA-N
XLogP3.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyridin-3-yl-6H-thieno[2,3-b]pyrrole-2-carboxylic acid
CID 82385778
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
3-pyridin-3-ylbenzoic acid
CID 2795575
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
thieno[2,3-f][1]benzothiole-2,6-dicarboxylic acid
CID 139034065
5-(1,3-dioxoisoindol-2-yl)-1-benzothiophene-2-carboxylic acid
CID 168519940
CID 131866422
CID 131866422
2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
2-acetyloxy-5-pyridin-3-ylbenzoic acid
CID 66990214
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
4-morpholin-4-yl-2-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 59817867
3-(5-methyl-1-benzothiophen-2-yl)pyridine
CID 122397868

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid (CID 59335660) is 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid is O=C(O)c1cc2cc(-c3cccnc3)ccc2s1.
What is the InChIKey of 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid?
The InChIKey is VWQDDXSFIOKIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-14(17)13-7-11-6-9(3-4-12(11)18-13)10-2-1-5-15-8-10/h1-8H,(H,16,17).
What are the key properties of 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid?
5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 59335660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).