6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid

C18H13Cl3N2O4S — CID 177035420

About 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid

6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid (PubChem CID 177035420) has the molecular formula C18H13Cl3N2O4S and a molecular weight of 459.74 g/mol. Its IUPAC name is 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
• PubChem CID: 177035420
• Molecular Formula: C18H13Cl3N2O4S
• Molecular Weight: 459.74 g/mol
• Exact Mass: 457.97
• IUPAC Name: 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid
• SMILES: CCn1c(OCc2ncc(Cl)s2)cc(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C18H13Cl3N2O4S/c1-2-23-15(27-8-14-22-7-13(21)28-14)6-12(24)16(18(25)26)17(23)9-3-4-10(19)11(20)5-9/h3-7H,2,8H2,1H3,(H,25,26)
• InChIKey: FBFNFIIUWBHESE-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 81.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.74
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid?

The IUPAC name of 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid (CID 177035420) is 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid.

What is the SMILES notation for 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid?

The canonical SMILES for 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid is CCn1c(OCc2ncc(Cl)s2)cc(=O)c(C(=O)O)c1-c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid?

The InChIKey is FBFNFIIUWBHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O4S/c1-2-23-15(27-8-14-22-7-13(21)28-14)6-12(24)16(18(25)26)17(23)9-3-4-10(19)11(20)5-9/h3-7H,2,8H2,1H3,(H,25,26).

What are the key properties of 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid?

6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid has a molecular weight of 459.74 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-chloro-1,3-thiazol-2-yl)methoxy]-2-(3,4-dichlorophenyl)-1-ethyl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 177035420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).