2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C20H13ClF2N2O6 — CID 169405705

About 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405705) has the molecular formula C20H13ClF2N2O6 and a molecular weight of 450.78 g/mol. Its IUPAC name is 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

• Compound Name: 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
• PubChem CID: 169405705
• Molecular Formula: C20H13ClF2N2O6
• Molecular Weight: 450.78 g/mol
• Exact Mass: 450.04
• IUPAC Name: 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
• SMILES: Nc1[nH]c(=O)c(C(=O)O)c(-c2cc(Cl)ccc2OCc2cc(F)ccc2F)c1C(=O)O
• InChI: InChI=1S/C20H13ClF2N2O6/c21-9-1-4-13(31-7-8-5-10(22)2-3-12(8)23)11(6-9)14-15(19(27)28)17(24)25-18(26)16(14)20(29)30/h1-6H,7H2,(H,27,28)(H,29,30)(H3,24,25,26)
• InChIKey: VALYPVLJIJHAMA-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 142.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.78
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?

The IUPAC name of 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405705) is 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

What is the SMILES notation for 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?

The canonical SMILES for 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2cc(Cl)ccc2OCc2cc(F)ccc2F)c1C(=O)O.

What is the InChIKey of 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?

The InChIKey is VALYPVLJIJHAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N2O6/c21-9-1-4-13(31-7-8-5-10(22)2-3-12(8)23)11(6-9)14-15(19(27)28)17(24)25-18(26)16(14)20(29)30/h1-6H,7H2,(H,27,28)(H,29,30)(H3,24,25,26).

What are the key properties of 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?

2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 450.78 g/mol, XLogP of 3.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).