5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid

C14H9NO2S — CID 53223621

IUPAC5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3ccccc3s2)cn1
InChIInChI=1S/C14H9NO2S/c16-14(17)11-6-5-10(8-15-11)13-7-9-3-1-2-4-12(9)18-13/h1-8H,(H,16,17)
InChIKeyMJMFRKSXXAVLGY-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.66
Rot. Bonds2

About 5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid

5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid (PubChem CID 53223621) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
PubChem CID53223621
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3ccccc3s2)cn1
InChIInChI=1S/C14H9NO2S/c16-14(17)11-6-5-10(8-15-11)13-7-9-3-1-2-4-12(9)18-13/h1-8H,(H,16,17)
InChIKeyMJMFRKSXXAVLGY-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

2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134191374
5-(1-benzothiophen-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115109785
5-isoquinolin-4-ylpyridine-2-carboxylic acid
CID 63938378
5-(6-carboxy-3-pyridinyl)isoquinoline-3-carboxylic acid
CID 167921982
(Z)-1-[5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-2-phenylethenethiol
CID 145132470
CID 59413459
CID 59413459
2-(1-benzothiophen-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146183055
4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 58636103
6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
CID 53229427
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59720610

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid (CID 53223621) is 5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cc3ccccc3s2)cn1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid?
The InChIKey is MJMFRKSXXAVLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-14(17)11-6-5-10(8-15-11)13-7-9-3-1-2-4-12(9)18-13/h1-8H,(H,16,17).
What are the key properties of 5-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid?
5-(1-benzothiophen-2-yl)pyridine-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-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53223621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).