6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C18H14ClFN2O4 — CID 58334723

About 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 58334723) has the molecular formula C18H14ClFN2O4 and a molecular weight of 376.77 g/mol. Its IUPAC name is 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 58334723
• Molecular Formula: C18H14ClFN2O4
• Molecular Weight: 376.77 g/mol
• Exact Mass: 376.06
• IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: O=C(O)c1cn(CCO)c2ncc(Cc3cccc(Cl)c3F)cc2c1=O
• InChI: InChI=1S/C18H14ClFN2O4/c19-14-3-1-2-11(15(14)20)6-10-7-12-16(24)13(18(25)26)9-22(4-5-23)17(12)21-8-10/h1-3,7-9,23H,4-6H2,(H,25,26)
• InChIKey: CFRCRDCQAAYJFO-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 92.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.77
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 58334723) is 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(CCO)c2ncc(Cc3cccc(Cl)c3F)cc2c1=O.

What is the InChIKey of 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is CFRCRDCQAAYJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O4/c19-14-3-1-2-11(15(14)20)6-10-7-12-16(24)13(18(25)26)9-22(4-5-23)17(12)21-8-10/h1-3,7-9,23H,4-6H2,(H,25,26).

What are the key properties of 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 376.77 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 58334723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).