3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride

C16H13ClN2O5S — CID 45263632

IUPAC3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride
SMILESCOc1ccccc1C(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N.Cl
InChIInChI=1S/C16H12N2O5S.ClH/c1-23-10-5-3-2-4-7(10)12(19)13-11(17)8-6-9(16(21)22)14(20)18-15(8)24-13;/h2-6H,17H2,1H3,(H,18,20)(H,21,22);1H
InChIKeyVSFPKSURQQJCPQ-UHFFFAOYSA-N
MW380.81 g/mol
LogP2.53
Rot. Bonds4

About 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride

3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride (PubChem CID 45263632) has the molecular formula C16H13ClN2O5S and a molecular weight of 380.81 g/mol. Its IUPAC name is 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride
PubChem CID45263632
Molecular FormulaC16H13ClN2O5S
Molecular Weight380.81 g/mol
Exact Mass380.02
IUPAC Name3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride
SMILESCOc1ccccc1C(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N.Cl
InChIInChI=1S/C16H12N2O5S.ClH/c1-23-10-5-3-2-4-7(10)12(19)13-11(17)8-6-9(16(21)22)14(20)18-15(8)24-13;/h2-6H,17H2,1H3,(H,18,20)(H,21,22);1H
InChIKeyVSFPKSURQQJCPQ-UHFFFAOYSA-N
XLogP2.53
TPSA122.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride (CID 45263632) is 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride is COc1ccccc1C(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N.Cl.
What is the InChIKey of 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The InChIKey is VSFPKSURQQJCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5S.ClH/c1-23-10-5-3-2-4-7(10)12(19)13-11(17)8-6-9(16(21)22)14(20)18-15(8)24-13;/h2-6H,17H2,1H3,(H,18,20)(H,21,22);1H.
What are the key properties of 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 380.81 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxybenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 45263632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).