2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid

C31H19N3O4S — CID 145055132

About 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 145055132) has the molecular formula C31H19N3O4S and a molecular weight of 529.58 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
• PubChem CID: 145055132
• Molecular Formula: C31H19N3O4S
• Molecular Weight: 529.58 g/mol
• Exact Mass: 529.11
• IUPAC Name: 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
• SMILES: O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)s4)ccn3)n2)c1
• InChI: InChI=1S/C31H19N3O4S/c35-30(36)22-10-12-33-25(15-22)27-17-23(31(37)38)16-26(34-27)24-14-21(9-11-32-24)29-8-7-28(39-29)20-6-5-18-3-1-2-4-19(18)13-20/h1-17H,(H,35,36)(H,37,38)
• InChIKey: UGYQGCJHIKXZLL-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 113.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.58
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?

The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid (CID 145055132) is 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(-c4ccc(-c5ccc6ccccc6c5)s4)ccn3)n2)c1.

What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?

The InChIKey is UGYQGCJHIKXZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O4S/c35-30(36)22-10-12-33-25(15-22)27-17-23(31(37)38)16-26(34-27)24-14-21(9-11-32-24)29-8-7-28(39-29)20-6-5-18-3-1-2-4-19(18)13-20/h1-17H,(H,35,36)(H,37,38).

What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?

2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 529.58 g/mol, XLogP of 7.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carboxy-2-pyridinyl)-6-[4-(5-naphthalen-2-ylthiophen-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 145055132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).