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

C14H10Br2N2O6 — CID 169407448

IUPAC2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c(Br)cc1Br
InChIInChI=1S/C14H10Br2N2O6/c1-24-7-2-4(5(15)3-6(7)16)8-9(13(20)21)11(17)18-12(19)10(8)14(22)23/h2-3H,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyHGAKOTHIGBNDCZ-UHFFFAOYSA-N
MW462.05 g/mol
LogP2.55
Rot. Bonds4

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

2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407448) has the molecular formula C14H10Br2N2O6 and a molecular weight of 462.05 g/mol. Its IUPAC name is 2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407448
Molecular FormulaC14H10Br2N2O6
Molecular Weight462.05 g/mol
Exact Mass459.89
IUPAC Name2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCOc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c(Br)cc1Br
InChIInChI=1S/C14H10Br2N2O6/c1-24-7-2-4(5(15)3-6(7)16)8-9(13(20)21)11(17)18-12(19)10(8)14(22)23/h2-3H,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyHGAKOTHIGBNDCZ-UHFFFAOYSA-N
XLogP2.55
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.05
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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-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-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407048
2-amino-4-(2,3-dibromo-5-ethoxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407064
2-amino-4-(5-chloro-2-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406915
2-amino-4-(2-bromo-5-fluoro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407921
2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405049
2-amino-4-(3-bromo-4-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406467
2-amino-4-[4-(carboxymethyl)-2-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407730
2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405429

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407448) is 2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is COc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c(Br)cc1Br.
What is the InChIKey of 2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is HGAKOTHIGBNDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O6/c1-24-7-2-4(5(15)3-6(7)16)8-9(13(20)21)11(17)18-12(19)10(8)14(22)23/h2-3H,1H3,(H,20,21)(H,22,23)(H3,17,18,19).
What are the key properties of 2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 462.05 g/mol, XLogP of 2.55, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).