5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid

C₂₂H₁₆FN₃O₄S — CID 162757209

About 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid

5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid (PubChem CID 162757209) has the molecular formula C₂₂H₁₆FN₃O₄S and a molecular weight of 437.45 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid.

Molecular Properties

• Compound Name: 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
• PubChem CID: 162757209
• Molecular Formula: C₂₂H₁₆FN₃O₄S
• Molecular Weight: 437.45 g/mol
• Exact Mass: 437.08
• IUPAC Name: 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid
• SMILES: Cc1nc(COc2ccccn2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1
• InChI: InChI=1S/C22H16FN3O4S/c1-12-21(31-20(25-12)11-30-19-7-2-3-8-24-19)17-6-4-5-16(26-17)13-10-18(27)14(22(28)29)9-15(13)23/h2-10,27H,11H2,1H3,(H,28,29)
• InChIKey: BPFNPWUQDOBECZ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 105.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.45
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?

The IUPAC name of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid (CID 162757209) is 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid.

What is the SMILES notation for 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?

The canonical SMILES for 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid is Cc1nc(COc2ccccn2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1.

What is the InChIKey of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?

The InChIKey is BPFNPWUQDOBECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O4S/c1-12-21(31-20(25-12)11-30-19-7-2-3-8-24-19)17-6-4-5-16(26-17)13-10-18(27)14(22(28)29)9-15(13)23/h2-10,27H,11H2,1H3,(H,28,29).

What are the key properties of 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid?

5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid has a molecular weight of 437.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-hydroxy-4-[6-[4-methyl-2-(pyridin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 162757209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162757209 — identifiers, structure, computed properties (public domain)

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