2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C13H8ClFN2O6 — CID 169407946

IUPAC2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cc(F)c(O)c(Cl)c2)c1C(=O)O
InChIInChI=1S/C13H8ClFN2O6/c14-4-1-3(2-5(15)9(4)18)6-7(12(20)21)10(16)17-11(19)8(6)13(22)23/h1-2,18H,(H,20,21)(H,22,23)(H3,16,17,19)
InChIKeyZQONWYMEMMGJJO-UHFFFAOYSA-N
MW342.67 g/mol
LogP1.52
Rot. Bonds3

About 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407946) has the molecular formula C13H8ClFN2O6 and a molecular weight of 342.67 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407946
Molecular FormulaC13H8ClFN2O6
Molecular Weight342.67 g/mol
Exact Mass342.01
IUPAC Name2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cc(F)c(O)c(Cl)c2)c1C(=O)O
InChIInChI=1S/C13H8ClFN2O6/c14-4-1-3(2-5(15)9(4)18)6-7(12(20)21)10(16)17-11(19)8(6)13(22)23/h1-2,18H,(H,20,21)(H,22,23)(H3,16,17,19)
InChIKeyZQONWYMEMMGJJO-UHFFFAOYSA-N
XLogP1.52
TPSA153.71 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407864
2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405280
2-amino-4-(4-chloro-2,3,6-trifluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407583
2-amino-4-(3,5-dihydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405328
2-amino-4-[3-chloro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405339
2-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405231
2-amino-4-[4-(bromomethyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407793
2-amino-4-(3-chloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407296
2-amino-4-[3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406601
2-amino-4-(4-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404956
2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407433
2-amino-4-(3-bromo-5-fluoro-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407439

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407946) is 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2cc(F)c(O)c(Cl)c2)c1C(=O)O.
What is the InChIKey of 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is ZQONWYMEMMGJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O6/c14-4-1-3(2-5(15)9(4)18)6-7(12(20)21)10(16)17-11(19)8(6)13(22)23/h1-2,18H,(H,20,21)(H,22,23)(H3,16,17,19).
What are the key properties of 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 342.67 g/mol, XLogP of 1.52, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).