2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid

C7H4ClF3N2O2 — CID 82621938

IUPAC2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C7H4ClF3N2O2/c8-6-12-2-3(1-4(14)15)5(13-6)7(9,10)11/h2H,1H2,(H,14,15)
InChIKeyKSRRBTHYFPDVEE-UHFFFAOYSA-N
MW240.57 g/mol
LogP1.78
Rot. Bonds2

About 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid

2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 82621938) has the molecular formula C7H4ClF3N2O2 and a molecular weight of 240.57 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID82621938
Molecular FormulaC7H4ClF3N2O2
Molecular Weight240.57 g/mol
Exact Mass239.99
IUPAC Name2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C7H4ClF3N2O2/c8-6-12-2-3(1-4(14)15)5(13-6)7(9,10)11/h2H,1H2,(H,14,15)
InChIKeyKSRRBTHYFPDVEE-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-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 82621938) is 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid is O=C(O)Cc1cnc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is KSRRBTHYFPDVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O2/c8-6-12-2-3(1-4(14)15)5(13-6)7(9,10)11/h2H,1H2,(H,14,15).
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-[2-chloro-4-(trifluoromethyl)pyrimidin-5-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-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82621938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).