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

C15H10F4N2O5 — CID 169407251

IUPAC2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1c(F)ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1C(F)(F)F
InChIInChI=1S/C15H10F4N2O5/c1-4-6(16)3-2-5(10(4)15(17,18)19)7-8(13(23)24)11(20)21-12(22)9(7)14(25)26/h2-3H,1H3,(H,23,24)(H,25,26)(H3,20,21,22)
InChIKeyOKMDMMQTSFPSBT-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.49
Rot. Bonds3

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

2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407251) has the molecular formula C15H10F4N2O5 and a molecular weight of 374.25 g/mol. Its IUPAC name is 2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407251
Molecular FormulaC15H10F4N2O5
Molecular Weight374.25 g/mol
Exact Mass374.05
IUPAC Name2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1c(F)ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1C(F)(F)F
InChIInChI=1S/C15H10F4N2O5/c1-4-6(16)3-2-5(10(4)15(17,18)19)7-8(13(23)24)11(20)21-12(22)9(7)14(25)26/h2-3H,1H3,(H,23,24)(H,25,26)(H3,20,21,22)
InChIKeyOKMDMMQTSFPSBT-UHFFFAOYSA-N
XLogP2.49
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405053
2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405271
2-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405231
2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407433
2-amino-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406922
2-amino-4-[5-(bromomethyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407796
2-amino-4-(2-bromo-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405429
2-amino-4-(2-chloro-6-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405368
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407251) is 2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Cc1c(F)ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1C(F)(F)F.
What is the InChIKey of 2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is OKMDMMQTSFPSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O5/c1-4-6(16)3-2-5(10(4)15(17,18)19)7-8(13(23)24)11(20)21-12(22)9(7)14(25)26/h2-3H,1H3,(H,23,24)(H,25,26)(H3,20,21,22).
What are the key properties of 2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 374.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).