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

C16H14Br2N2O7 — CID 169407064

IUPAC2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c(Br)c(Br)c1OC
InChIInChI=1S/C16H14Br2N2O7/c1-3-27-6-4-5(10(17)11(18)12(6)26-2)7-8(15(22)23)13(19)20-14(21)9(7)16(24)25/h4H,3H2,1-2H3,(H,22,23)(H,24,25)(H3,19,20,21)
InChIKeyRVKASZAPSIEKEI-UHFFFAOYSA-N
MW506.10 g/mol
LogP2.95
Rot. Bonds6

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

2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407064) has the molecular formula C16H14Br2N2O7 and a molecular weight of 506.10 g/mol. Its IUPAC name is 2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407064
Molecular FormulaC16H14Br2N2O7
Molecular Weight506.10 g/mol
Exact Mass503.92
IUPAC Name2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCCOc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c(Br)c(Br)c1OC
InChIInChI=1S/C16H14Br2N2O7/c1-3-27-6-4-5(10(17)11(18)12(6)26-2)7-8(15(22)23)13(19)20-14(21)9(7)16(24)25/h4H,3H2,1-2H3,(H,22,23)(H,24,25)(H3,19,20,21)
InChIKeyRVKASZAPSIEKEI-UHFFFAOYSA-N
XLogP2.95
TPSA151.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.10
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407046
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-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407048
2-amino-4-(2-bromo-4-butoxy-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407038
2-amino-4-(2-bromo-3-chloro-4-hydroxy-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406484
2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407448
2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405540
2-amino-4-(3,4-diethoxy-5-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406589
2-amino-4-(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406525
2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405078
2-amino-4-(5-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405782
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405460

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407064) is 2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is CCOc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c(Br)c(Br)c1OC.
What is the InChIKey of 2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is RVKASZAPSIEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O7/c1-3-27-6-4-5(10(17)11(18)12(6)26-2)7-8(15(22)23)13(19)20-14(21)9(7)16(24)25/h4H,3H2,1-2H3,(H,22,23)(H,24,25)(H3,19,20,21).
What are the key properties of 2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 506.10 g/mol, XLogP of 2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).