6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid

C16H18N2O3S — CID 167772939

About 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid

6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 167772939) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
• PubChem CID: 167772939
• Molecular Formula: C16H18N2O3S
• Molecular Weight: 318.40 g/mol
• Exact Mass: 318.10
• IUPAC Name: 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
• SMILES: COc1nc(CN2CCc3cc(C(=O)O)sc3C2)ccc1C
• InChI: InChI=1S/C16H18N2O3S/c1-10-3-4-12(17-15(10)21-2)8-18-6-5-11-7-13(16(19)20)22-14(11)9-18/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20)
• InChIKey: VEEHSYAVQNLMAF-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.40
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?

The IUPAC name of 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (CID 167772939) is 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is COc1nc(CN2CCc3cc(C(=O)O)sc3C2)ccc1C.

What is the InChIKey of 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?

The InChIKey is VEEHSYAVQNLMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-3-4-12(17-15(10)21-2)8-18-6-5-11-7-13(16(19)20)22-14(11)9-18/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20).

What are the key properties of 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?

6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-methoxy-5-methyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 167772939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).