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

C15H13FN2O6 — CID 169405540

IUPAC2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOc1cc(F)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C15H13FN2O6/c1-2-24-8-5-6(16)3-4-7(8)9-10(14(20)21)12(17)18-13(19)11(9)15(22)23/h3-5H,2H2,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyAJTGMJCROSHQCD-UHFFFAOYSA-N
MW336.28 g/mol
LogP1.56
Rot. Bonds5

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

2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405540) has the molecular formula C15H13FN2O6 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405540
Molecular FormulaC15H13FN2O6
Molecular Weight336.28 g/mol
Exact Mass336.08
IUPAC Name2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOc1cc(F)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C15H13FN2O6/c1-2-24-8-5-6(16)3-4-7(8)9-10(14(20)21)12(17)18-13(19)11(9)15(22)23/h3-5H,2H2,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyAJTGMJCROSHQCD-UHFFFAOYSA-N
XLogP1.56
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406922
2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405078
2-amino-4-(2-bromo-5-ethoxy-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405383
2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407046
2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407064
2-amino-4-(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406525
2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405705
2-amino-4-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406165
2-amino-4-[2-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407048
2-amino-4-[4-(carboxymethyl)-2-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407730
2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405002

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405540) is 2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CCOc1cc(F)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is AJTGMJCROSHQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O6/c1-2-24-8-5-6(16)3-4-7(8)9-10(14(20)21)12(17)18-13(19)11(9)15(22)23/h3-5H,2H2,1H3,(H,20,21)(H,22,23)(H3,17,18,19).
What are the key properties of 2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 336.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).