2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid

C7H4ClF3N2O2 — CID 155982192

IUPAC2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H4ClF3N2O2/c8-4-1-3(2-5(14)15)12-6(13-4)7(9,10)11/h1H,2H2,(H,14,15)
InChIKeyODENPSXLKMPHMA-UHFFFAOYSA-N
MW240.57 g/mol
LogP1.78
Rot. Bonds2

About 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid (PubChem CID 155982192) has the molecular formula C7H4ClF3N2O2 and a molecular weight of 240.57 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid
PubChem CID155982192
Molecular FormulaC7H4ClF3N2O2
Molecular Weight240.57 g/mol
Exact Mass239.99
IUPAC Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H4ClF3N2O2/c8-4-1-3(2-5(14)15)12-6(13-4)7(9,10)11/h1H,2H2,(H,14,15)
InChIKeyODENPSXLKMPHMA-UHFFFAOYSA-N
XLogP1.78
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.57
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid (CID 155982192) is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid is O=C(O)Cc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid?
The InChIKey is ODENPSXLKMPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O2/c8-4-1-3(2-5(14)15)12-6(13-4)7(9,10)11/h1H,2H2,(H,14,15).
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid?
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid has a molecular weight of 240.57 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 155982192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).