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

C17H10ClF3N2O — CID 1069570

IUPAC4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C17H10ClF3N2O/c18-11-6-7-14(24)12(8-11)13-9-15(17(19,20)21)23-16(22-13)10-4-2-1-3-5-10/h1-9,24H
InChIKeyBYIHNNHUQFLHOV-UHFFFAOYSA-N
MW350.73 g/mol
LogP5.19
Rot. Bonds2

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

4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (PubChem CID 1069570) has the molecular formula C17H10ClF3N2O and a molecular weight of 350.73 g/mol. Its IUPAC name is 4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
PubChem CID1069570
Molecular FormulaC17H10ClF3N2O
Molecular Weight350.73 g/mol
Exact Mass350.04
IUPAC Name4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C17H10ClF3N2O/c18-11-6-7-14(24)12(8-11)13-9-15(17(19,20)21)23-16(22-13)10-4-2-1-3-5-10/h1-9,24H
InChIKeyBYIHNNHUQFLHOV-UHFFFAOYSA-N
XLogP5.19
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.73
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol (CID 1069570) is 4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is Oc1ccc(Cl)cc1-c1cc(C(F)(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
The InChIKey is BYIHNNHUQFLHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O/c18-11-6-7-14(24)12(8-11)13-9-15(17(19,20)21)23-16(22-13)10-4-2-1-3-5-10/h1-9,24H.
What are the key properties of 4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol?
4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol has a molecular weight of 350.73 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 1069570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).