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

C15H12N2O8 — CID 169406614

IUPAC2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(OCC(=O)O)c2)c1C(=O)O
InChIInChI=1S/C15H12N2O8/c16-12-10(14(21)22)9(11(15(23)24)13(20)17-12)6-2-1-3-7(4-6)25-5-8(18)19/h1-4H,5H2,(H,18,19)(H,21,22)(H,23,24)(H3,16,17,20)
InChIKeyRZTCZWKBIMZNFF-UHFFFAOYSA-N
MW348.27 g/mol
LogP0.48
Rot. Bonds6

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

2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406614) has the molecular formula C15H12N2O8 and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406614
Molecular FormulaC15H12N2O8
Molecular Weight348.27 g/mol
Exact Mass348.06
IUPAC Name2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(OCC(=O)O)c2)c1C(=O)O
InChIInChI=1S/C15H12N2O8/c16-12-10(14(21)22)9(11(15(23)24)13(20)17-12)6-2-1-3-7(4-6)25-5-8(18)19/h1-4H,5H2,(H,18,19)(H,21,22)(H,23,24)(H3,16,17,20)
InChIKeyRZTCZWKBIMZNFF-UHFFFAOYSA-N
XLogP0.48
TPSA180.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 50.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[3-(4-cyanobutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406940
2-amino-4-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406405
2-amino-4-[3-[(5-carboxyfuran-2-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406860
2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406259
2-amino-4-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406404
2-amino-6-oxo-4-[2-(3-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169406099
2-amino-4-[3-[(3-nitropyrazol-1-yl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407119
2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405860
2-amino-4-[3-(6-chloropyridazin-3-yl)oxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406856
2-amino-6-oxo-4-(3-pyridin-3-ylphenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405410
2-amino-4-[3-(4-ethylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405745
2-amino-4-[3-(2,4-dinitrophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406905

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169406614) is 2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2cccc(OCC(=O)O)c2)c1C(=O)O.
What is the InChIKey of 2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is RZTCZWKBIMZNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O8/c16-12-10(14(21)22)9(11(15(23)24)13(20)17-12)6-2-1-3-7(4-6)25-5-8(18)19/h1-4H,5H2,(H,18,19)(H,21,22)(H,23,24)(H3,16,17,20).
What are the key properties of 2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 348.27 g/mol, XLogP of 0.48, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(carboxymethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).