4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid

C8H7F3N2O3 — CID 83896941

IUPAC4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCOc1nc(C(F)(F)F)ncc1C(=O)O
InChIInChI=1S/C8H7F3N2O3/c1-2-16-5-4(6(14)15)3-12-7(13-5)8(9,10)11/h3H,2H2,1H3,(H,14,15)
InChIKeyDQGWIBCNBCEJLY-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.59
Rot. Bonds3

About 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid

4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 83896941) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID83896941
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCCOc1nc(C(F)(F)F)ncc1C(=O)O
InChIInChI=1S/C8H7F3N2O3/c1-2-16-5-4(6(14)15)3-12-7(13-5)8(9,10)11/h3H,2H2,1H3,(H,14,15)
InChIKeyDQGWIBCNBCEJLY-UHFFFAOYSA-N
XLogP1.59
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone
CID 83875345
2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775070
4-ethyl-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carboxylic acid
CID 22831545
4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 142592641
2-(2-methoxybutan-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 116775077
2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 69019134
4-tert-butyl-2-ethoxypyrimidine-5-carboxylic acid
CID 83891615
2-(trifluoromethyl)quinazoline-5-carboxylic acid
CID 140504349
ethyl (E)-3-[5-amino-2-(trifluoromethyl)pyrimidin-4-yl]prop-2-enoate
CID 137434573
2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 110836376
5-amino-6-chloro-2-ethoxypyridine-3-carboxylic acid
CID 58503948
2-amino-4-ethoxypyrimidine-5-carboxamide
CID 143881535

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 83896941) is 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is CCOc1nc(C(F)(F)F)ncc1C(=O)O.
What is the InChIKey of 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is DQGWIBCNBCEJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-2-16-5-4(6(14)15)3-12-7(13-5)8(9,10)11/h3H,2H2,1H3,(H,14,15).
What are the key properties of 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83896941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).