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

C7H5F3N2O2 — CID 82610181

IUPAC2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cncnc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)6-4(1-5(13)14)2-11-3-12-6/h2-3H,1H2,(H,13,14)
InChIKeyCPELWAAZEFBOCA-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.12
Rot. Bonds2

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

2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid (PubChem CID 82610181) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
PubChem CID82610181
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cncnc1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)6-4(1-5(13)14)2-11-3-12-6/h2-3H,1H2,(H,13,14)
InChIKeyCPELWAAZEFBOCA-UHFFFAOYSA-N
XLogP1.12
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid (CID 82610181) is 2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid is O=C(O)Cc1cncnc1C(F)(F)F.
What is the InChIKey of 2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
The InChIKey is CPELWAAZEFBOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)6-4(1-5(13)14)2-11-3-12-6/h2-3H,1H2,(H,13,14).
What are the key properties of 2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid?
2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid has a molecular weight of 206.12 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82610181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).