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

C20H14ClFN2O6 — CID 169405472

IUPAC2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(OCc3ccc(F)c(Cl)c3)cc2)c1C(=O)O
InChIInChI=1S/C20H14ClFN2O6/c21-12-7-9(1-6-13(12)22)8-30-11-4-2-10(3-5-11)14-15(19(26)27)17(23)24-18(25)16(14)20(28)29/h1-7H,8H2,(H,26,27)(H,28,29)(H3,23,24,25)
InChIKeyXNWJYVQWBSTVRS-UHFFFAOYSA-N
MW432.79 g/mol
LogP3.39
Rot. Bonds6

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

2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405472) has the molecular formula C20H14ClFN2O6 and a molecular weight of 432.79 g/mol. Its IUPAC name is 2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405472
Molecular FormulaC20H14ClFN2O6
Molecular Weight432.79 g/mol
Exact Mass432.05
IUPAC Name2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(OCc3ccc(F)c(Cl)c3)cc2)c1C(=O)O
InChIInChI=1S/C20H14ClFN2O6/c21-12-7-9(1-6-13(12)22)8-30-11-4-2-10(3-5-11)14-15(19(26)27)17(23)24-18(25)16(14)20(28)29/h1-7H,8H2,(H,26,27)(H,28,29)(H3,23,24,25)
InChIKeyXNWJYVQWBSTVRS-UHFFFAOYSA-N
XLogP3.39
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.79
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405990
2-amino-4-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406405
2-amino-4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405826
2-amino-4-(3,5-difluoro-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406273
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406741
2-amino-4-[2-[(3,4-difluorophenoxy)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405639
2-amino-4-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406404
2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407946
2-amino-4-[3,4-bis(phenylmethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405035
2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407864
2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406089
2-amino-4-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406354

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405472) is 2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2ccc(OCc3ccc(F)c(Cl)c3)cc2)c1C(=O)O.
What is the InChIKey of 2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is XNWJYVQWBSTVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O6/c21-12-7-9(1-6-13(12)22)8-30-11-4-2-10(3-5-11)14-15(19(26)27)17(23)24-18(25)16(14)20(28)29/h1-7H,8H2,(H,26,27)(H,28,29)(H3,23,24,25).
What are the key properties of 2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 432.79 g/mol, XLogP of 3.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).