2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C19H12F2N2O6 — CID 169407952

IUPAC2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2Oc2cc(F)cc(F)c2)c1C(=O)O
InChIInChI=1S/C19H12F2N2O6/c20-8-5-9(21)7-10(6-8)29-12-4-2-1-3-11(12)13-14(18(25)26)16(22)23-17(24)15(13)19(27)28/h1-7H,(H,25,26)(H,27,28)(H3,22,23,24)
InChIKeyKPTMEHNPTHFOIL-UHFFFAOYSA-N
MW402.31 g/mol
LogP3.09
Rot. Bonds5

About 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407952) has the molecular formula C19H12F2N2O6 and a molecular weight of 402.31 g/mol. Its IUPAC name is 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407952
Molecular FormulaC19H12F2N2O6
Molecular Weight402.31 g/mol
Exact Mass402.07
IUPAC Name2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2Oc2cc(F)cc(F)c2)c1C(=O)O
InChIInChI=1S/C19H12F2N2O6/c20-8-5-9(21)7-10(6-8)29-12-4-2-1-3-11(12)13-14(18(25)26)16(22)23-17(24)15(13)19(27)28/h1-7H,(H,25,26)(H,27,28)(H3,22,23,24)
InChIKeyKPTMEHNPTHFOIL-UHFFFAOYSA-N
XLogP3.09
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406922
2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405053
2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405540
2-amino-4-[3-(4-fluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406259
2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405049
2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169407725
2-amino-4-[3-(difluoromethoxy)-5-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407409
2-amino-4-(5-fluoro-1-benzothiophen-7-yl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407461
2-amino-4-[2-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406692
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405271

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407952) is 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2Oc2cc(F)cc(F)c2)c1C(=O)O.
What is the InChIKey of 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is KPTMEHNPTHFOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O6/c20-8-5-9(21)7-10(6-8)29-12-4-2-1-3-11(12)13-14(18(25)26)16(22)23-17(24)15(13)19(27)28/h1-7H,(H,25,26)(H,27,28)(H3,22,23,24).
What are the key properties of 2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 402.31 g/mol, XLogP of 3.09, 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-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).