4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine

C13H10ClF3N2 — CID 106768869

IUPAC4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cccc(-c2cc(Cl)nc(C(F)(F)F)n2)c1C
InChIInChI=1S/C13H10ClF3N2/c1-7-4-3-5-9(8(7)2)10-6-11(14)19-12(18-10)13(15,16)17/h3-6H,1-2H3
InChIKeyZSJQJQCJZOTBHG-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.43
Rot. Bonds1

About 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768869) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768869
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cccc(-c2cc(Cl)nc(C(F)(F)F)n2)c1C
InChIInChI=1S/C13H10ClF3N2/c1-7-4-3-5-9(8(7)2)10-6-11(14)19-12(18-10)13(15,16)17/h3-6H,1-2H3
InChIKeyZSJQJQCJZOTBHG-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine (CID 106768869) is 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine is Cc1cccc(-c2cc(Cl)nc(C(F)(F)F)n2)c1C.
What is the InChIKey of 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is ZSJQJQCJZOTBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c1-7-4-3-5-9(8(7)2)10-6-11(14)19-12(18-10)13(15,16)17/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 286.68 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dimethylphenyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).