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

C11H6ClF3N2O — CID 623728

IUPAC2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C11H6ClF3N2O/c12-9-5-8(11(13,14)15)16-10(17-9)6-3-1-2-4-7(6)18/h1-5,18H
InChIKeyGULWHEFVOMHPOO-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.52
Rot. Bonds1

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

2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol (PubChem CID 623728) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol
PubChem CID623728
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C11H6ClF3N2O/c12-9-5-8(11(13,14)15)16-10(17-9)6-3-1-2-4-7(6)18/h1-5,18H
InChIKeyGULWHEFVOMHPOO-UHFFFAOYSA-N
XLogP3.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol (CID 623728) is 2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol is Oc1ccccc1-c1nc(Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol?
The InChIKey is GULWHEFVOMHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c12-9-5-8(11(13,14)15)16-10(17-9)6-3-1-2-4-7(6)18/h1-5,18H.
What are the key properties of 2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol?
2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol has a molecular weight of 274.63 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 623728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).