5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid

C19H13F3N2O5 — CID 135434325

IUPAC5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(OCc3ccccc3C(F)(F)F)c2)[nH]c(=O)c1O
InChIInChI=1S/C19H13F3N2O5/c20-19(21,22)13-7-2-1-4-11(13)9-29-12-6-3-5-10(8-12)16-23-14(18(27)28)15(25)17(26)24-16/h1-8,25H,9H2,(H,27,28)(H,23,24,26)
InChIKeyMIDBZXVYLNIQSA-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.44
Rot. Bonds5

About 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid

5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434325) has the molecular formula C19H13F3N2O5 and a molecular weight of 406.32 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid
PubChem CID135434325
Molecular FormulaC19H13F3N2O5
Molecular Weight406.32 g/mol
Exact Mass406.08
IUPAC Name5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2cccc(OCc3ccccc3C(F)(F)F)c2)[nH]c(=O)c1O
InChIInChI=1S/C19H13F3N2O5/c20-19(21,22)13-7-2-1-4-11(13)9-29-12-6-3-5-10(8-12)16-23-14(18(27)28)15(25)17(26)24-16/h1-8,25H,9H2,(H,27,28)(H,23,24,26)
InChIKeyMIDBZXVYLNIQSA-UHFFFAOYSA-N
XLogP3.44
TPSA112.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid (CID 135434325) is 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2cccc(OCc3ccccc3C(F)(F)F)c2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid?
The InChIKey is MIDBZXVYLNIQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O5/c20-19(21,22)13-7-2-1-4-11(13)9-29-12-6-3-5-10(8-12)16-23-14(18(27)28)15(25)17(26)24-16/h1-8,25H,9H2,(H,27,28)(H,23,24,26).
What are the key properties of 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid has a molecular weight of 406.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).