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

C13H8BrFN2O5 — CID 169405049

IUPAC2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cc(F)ccc2Br)c1C(=O)O
InChIInChI=1S/C13H8BrFN2O5/c14-6-2-1-4(15)3-5(6)7-8(12(19)20)10(16)17-11(18)9(7)13(21)22/h1-3H,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyARLLPLXPHQTJEZ-UHFFFAOYSA-N
MW371.12 g/mol
LogP1.92
Rot. Bonds3

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

2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405049) has the molecular formula C13H8BrFN2O5 and a molecular weight of 371.12 g/mol. Its IUPAC name is 2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405049
Molecular FormulaC13H8BrFN2O5
Molecular Weight371.12 g/mol
Exact Mass369.96
IUPAC Name2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cc(F)ccc2Br)c1C(=O)O
InChIInChI=1S/C13H8BrFN2O5/c14-6-2-1-4(15)3-5(6)7-8(12(19)20)10(16)17-11(18)9(7)13(21)22/h1-3H,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyARLLPLXPHQTJEZ-UHFFFAOYSA-N
XLogP1.92
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.12
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405053
2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(2-bromo-5-fluoro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407921
2-amino-4-[4-bromo-2-(bromomethyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407846
2-amino-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406922
2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405540
2-amino-4-(2,4-dibromo-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407448
2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-(5-fluoro-1-benzothiophen-7-yl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407461
2-amino-4-[5-(bromomethyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407796
2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407952
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 107924801

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405049) is 2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2cc(F)ccc2Br)c1C(=O)O.
What is the InChIKey of 2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is ARLLPLXPHQTJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O5/c14-6-2-1-4(15)3-5(6)7-8(12(19)20)10(16)17-11(18)9(7)13(21)22/h1-3H,(H,19,20)(H,21,22)(H3,16,17,18).
What are the key properties of 2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 371.12 g/mol, XLogP of 1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).