2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid

C18H11F3N4O6 — CID 169407725

IUPAC2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2Oc2nccc(C(F)(F)F)n2)c1C(=O)O
InChIInChI=1S/C18H11F3N4O6/c19-18(20,21)9-5-6-23-17(24-9)31-8-4-2-1-3-7(8)10-11(15(27)28)13(22)25-14(26)12(10)16(29)30/h1-6H,(H,27,28)(H,29,30)(H3,22,25,26)
InChIKeyVCXAKRDKDIRPRA-UHFFFAOYSA-N
MW436.30 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid

2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407725) has the molecular formula C18H11F3N4O6 and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407725
Molecular FormulaC18H11F3N4O6
Molecular Weight436.30 g/mol
Exact Mass436.06
IUPAC Name2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2Oc2nccc(C(F)(F)F)n2)c1C(=O)O
InChIInChI=1S/C18H11F3N4O6/c19-18(20,21)9-5-6-23-17(24-9)31-8-4-2-1-3-7(8)10-11(15(27)28)13(22)25-14(26)12(10)16(29)30/h1-6H,(H,27,28)(H,29,30)(H3,22,25,26)
InChIKeyVCXAKRDKDIRPRA-UHFFFAOYSA-N
XLogP2.62
TPSA168.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid (CID 169407725) is 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2ccccc2Oc2nccc(C(F)(F)F)n2)c1C(=O)O.
What is the InChIKey of 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is VCXAKRDKDIRPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O6/c19-18(20,21)9-5-6-23-17(24-9)31-8-4-2-1-3-7(8)10-11(15(27)28)13(22)25-14(26)12(10)16(29)30/h1-6H,(H,27,28)(H,29,30)(H3,22,25,26).
What are the key properties of 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid?
2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 436.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).