4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid

C7H5F3N2O3 — CID 82392288

IUPAC4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCOc1ncnc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C7H5F3N2O3/c1-15-5-3(6(13)14)4(7(8,9)10)11-2-12-5/h2H,1H3,(H,13,14)
InChIKeyIAFMEJLURPYXMJ-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.20
Rot. Bonds2

About 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid

4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 82392288) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID82392288
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCOc1ncnc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C7H5F3N2O3/c1-15-5-3(6(13)14)4(7(8,9)10)11-2-12-5/h2H,1H3,(H,13,14)
InChIKeyIAFMEJLURPYXMJ-UHFFFAOYSA-N
XLogP1.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 14222966
(4-Methoxy-6-trifluoromethylpyrimidin-5-yl)-methanol
CID 17862874
4-Ethoxy-6-(trifluoromethyl)pyrimidine-5-carbaldehyde
CID 17862878
4-Methoxy-6-trifluoromethyl-pyrimidine-5-carbaldehyde
CID 17862898
4-Methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)-5-pyrimidinecarboxylic acid
CID 45588336
6-(Difluoromethoxy)-5-methylpyrimidine-4-carboxylic acid
CID 117819056
Methyl 4-(2,2-difluoropropoxy)-6-ethenylpyrimidine-5-carboxylate
CID 125495021
Methyl 4-(2,2-difluoroethoxy)-6-ethenylpyrimidine-5-carboxylate
CID 125495022
Methyl 4-(2,2-difluorobutoxy)-6-ethenylpyrimidine-5-carboxylate
CID 125495032
Methyl 4-formyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
CID 125495044
Methyl 4-(2,2-difluorobutoxy)-6-formylpyrimidine-5-carboxylate
CID 125495114
Methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
CID 125495122

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 82392288) is 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is COc1ncnc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is IAFMEJLURPYXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c1-15-5-3(6(13)14)4(7(8,9)10)11-2-12-5/h2H,1H3,(H,13,14).
What are the key properties of 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid?
4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 222.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82392288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).