8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid

C20H15NO4S — CID 141462551

IUPAC8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cncc3c2SC(C(=O)O)CC3)c2ccccc12
InChIInChI=1S/C20H15NO4S/c22-19(23)15-7-6-14(12-3-1-2-4-13(12)15)16-10-21-9-11-5-8-17(20(24)25)26-18(11)16/h1-4,6-7,9-10,17H,5,8H2,(H,22,23)(H,24,25)
InChIKeyHMAIMZNTKAEDIH-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.09
Rot. Bonds3

About 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid

8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid (PubChem CID 141462551) has the molecular formula C20H15NO4S and a molecular weight of 365.41 g/mol. Its IUPAC name is 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid
PubChem CID141462551
Molecular FormulaC20H15NO4S
Molecular Weight365.41 g/mol
Exact Mass365.07
IUPAC Name8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cncc3c2SC(C(=O)O)CC3)c2ccccc12
InChIInChI=1S/C20H15NO4S/c22-19(23)15-7-6-14(12-3-1-2-4-13(12)15)16-10-21-9-11-5-8-17(20(24)25)26-18(11)16/h1-4,6-7,9-10,17H,5,8H2,(H,22,23)(H,24,25)
InChIKeyHMAIMZNTKAEDIH-UHFFFAOYSA-N
XLogP4.09
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid (CID 141462551) is 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cncc3c2SC(C(=O)O)CC3)c2ccccc12.
What is the InChIKey of 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is HMAIMZNTKAEDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4S/c22-19(23)15-7-6-14(12-3-1-2-4-13(12)15)16-10-21-9-11-5-8-17(20(24)25)26-18(11)16/h1-4,6-7,9-10,17H,5,8H2,(H,22,23)(H,24,25).
What are the key properties of 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid?
8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 365.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 141462551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).