4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol

C65H59BrClF6N7O5 — CID 161418706

About 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol

4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol (PubChem CID 161418706) has the molecular formula C65H59BrClF6N7O5 and a molecular weight of 1247.58 g/mol. Its IUPAC name is 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol
• PubChem CID: 161418706
• Molecular Formula: C65H59BrClF6N7O5
• Molecular Weight: 1247.58 g/mol
• Exact Mass: 1245.34
• IUPAC Name: 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol
• SMILES: CCc1cccc(-c2ccc(O)c(C(F)(F)F)c2)n1.CCc1ccnc(-c2ccc(O)c(C)c2)n1.Cc1ccc(Br)c(-c2ccc(O)c(C)c2)n1.Cc1ccc(Cl)c(-c2ccc(O)c(C)c2)n1.Cc1ccnc(-c2ccc(O)c(C(F)(F)F)c2)n1
• InChI: InChI=1S/C14H12F3NO.C13H12BrNO.C13H12ClNO.C13H14N2O.C12H9F3N2O/c1-2-10-4-3-5-12(18-10)9-6-7-13(19)11(8-9)14(15,16)17;2*1-8-7-10(4-6-12(8)16)13-11(14)5-3-9(2)15-13;1-3-11-6-7-14-13(15-11)10-4-5-12(16)9(2)8-10;1-7-4-5-16-11(17-7)8-2-3-10(18)9(6-8)12(13,14)15/h3-8,19H,2H2,1H3;2*3-7,16H,1-2H3;4-8,16H,3H2,1-2H3;2-6,18H,1H3
• InChIKey: VWLAWUNBQTYHCS-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 191.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1247.58
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol?

The IUPAC name of 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol (CID 161418706) is 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol.

What is the SMILES notation for 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol?

The canonical SMILES for 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol is CCc1cccc(-c2ccc(O)c(C(F)(F)F)c2)n1.CCc1ccnc(-c2ccc(O)c(C)c2)n1.Cc1ccc(Br)c(-c2ccc(O)c(C)c2)n1.Cc1ccc(Cl)c(-c2ccc(O)c(C)c2)n1.Cc1ccnc(-c2ccc(O)c(C(F)(F)F)c2)n1.

What is the InChIKey of 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol?

The InChIKey is VWLAWUNBQTYHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO.C13H12BrNO.C13H12ClNO.C13H14N2O.C12H9F3N2O/c1-2-10-4-3-5-12(18-10)9-6-7-13(19)11(8-9)14(15,16)17;2*1-8-7-10(4-6-12(8)16)13-11(14)5-3-9(2)15-13;1-3-11-6-7-14-13(15-11)10-4-5-12(16)9(2)8-10;1-7-4-5-16-11(17-7)8-2-3-10(18)9(6-8)12(13,14)15/h3-8,19H,2H2,1H3;2*3-7,16H,1-2H3;4-8,16H,3H2,1-2H3;2-6,18H,1H3.

What are the key properties of 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol?

4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol has a molecular weight of 1247.58 g/mol, XLogP of 17.49, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 161418706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).