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

C9H7F3N2O2 — CID 22831558

IUPAC4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C(F)(F)F)nc1C1CC1
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)8-13-3-5(7(15)16)6(14-8)4-1-2-4/h3-4H,1-2H2,(H,15,16)
InChIKeyZESNFMDGMALERE-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.07
Rot. Bonds2

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

4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 22831558) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID22831558
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C(F)(F)F)nc1C1CC1
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)8-13-3-5(7(15)16)6(14-8)4-1-2-4/h3-4H,1-2H2,(H,15,16)
InChIKeyZESNFMDGMALERE-UHFFFAOYSA-N
XLogP2.07
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 22831558) is 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C(F)(F)F)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is ZESNFMDGMALERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c10-9(11,12)8-13-3-5(7(15)16)6(14-8)4-1-2-4/h3-4H,1-2H2,(H,15,16).
What are the key properties of 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid?
4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 232.16 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 22831558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).