2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C15H12N2O8 — CID 169405156

IUPAC2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOC(=O)c1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)ccc1O
InChIInChI=1S/C15H12N2O8/c1-25-15(24)6-4-5(2-3-7(6)18)8-9(13(20)21)11(16)17-12(19)10(8)14(22)23/h2-4,18H,1H3,(H,20,21)(H,22,23)(H3,16,17,19)
InChIKeyUZEAVOPBKIQOAT-UHFFFAOYSA-N
MW348.27 g/mol
LogP0.51
Rot. Bonds4

About 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405156) has the molecular formula C15H12N2O8 and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405156
Molecular FormulaC15H12N2O8
Molecular Weight348.27 g/mol
Exact Mass348.06
IUPAC Name2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOC(=O)c1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)ccc1O
InChIInChI=1S/C15H12N2O8/c1-25-15(24)6-4-5(2-3-7(6)18)8-9(13(20)21)11(16)17-12(19)10(8)14(22)23/h2-4,18H,1H3,(H,20,21)(H,22,23)(H3,16,17,19)
InChIKeyUZEAVOPBKIQOAT-UHFFFAOYSA-N
XLogP0.51
TPSA180.01 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 50.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405156) is 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is COC(=O)c1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)ccc1O.
What is the InChIKey of 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is UZEAVOPBKIQOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O8/c1-25-15(24)6-4-5(2-3-7(6)18)8-9(13(20)21)11(16)17-12(19)10(8)14(22)23/h2-4,18H,1H3,(H,20,21)(H,22,23)(H3,16,17,19).
What are the key properties of 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 348.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxy-3-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).