6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid

C14H10N2O2S — CID 53229427

IUPAC6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2cc3ccccc3s2)c(C(=O)O)n1
InChIInChI=1S/C14H10N2O2S/c15-12-6-5-9(13(16-12)14(17)18)11-7-8-3-1-2-4-10(8)19-11/h1-7H,(H2,15,16)(H,17,18)
InChIKeyQMUMEVGJBSYUIV-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.24
Rot. Bonds2

About 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid

6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid (PubChem CID 53229427) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
PubChem CID53229427
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2cc3ccccc3s2)c(C(=O)O)n1
InChIInChI=1S/C14H10N2O2S/c15-12-6-5-9(13(16-12)14(17)18)11-7-8-3-1-2-4-10(8)19-11/h1-7H,(H2,15,16)(H,17,18)
InChIKeyQMUMEVGJBSYUIV-UHFFFAOYSA-N
XLogP3.24
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53316657
4-Anilinothieno[3,2-c]pyridine-6-carboxylic acid
CID 53317960
4-[3-(Methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid
CID 53317962
4-[2-(Dimethylamino)ethylamino]thieno[3,2-c]pyridine-6-carboxylic acid
CID 53320598
4-(2-Methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53320599
4-(3-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323250
4-(3-Ethynylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323251
4-(4-Chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53324596
4-(2-Phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325334
4-(4-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325886
6-[(3-Methyl-5-propan-2-yl-1-benzothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 56942937
4-Pyrrolidin-1-ylthieno[3,2-c]pyridine-6-carboxylic acid
CID 53316656

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid (CID 53229427) is 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid is Nc1ccc(-c2cc3ccccc3s2)c(C(=O)O)n1.
What is the InChIKey of 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid?
The InChIKey is QMUMEVGJBSYUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c15-12-6-5-9(13(16-12)14(17)18)11-7-8-3-1-2-4-10(8)19-11/h1-7H,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid?
6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 53229427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).