2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol

C76H69ClF4N6O6 — CID 161349194

About 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol

2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol (PubChem CID 161349194) has the molecular formula C76H69ClF4N6O6 and a molecular weight of 1273.87 g/mol. Its IUPAC name is 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol
• PubChem CID: 161349194
• Molecular Formula: C76H69ClF4N6O6
• Molecular Weight: 1273.87 g/mol
• Exact Mass: 1272.49
• IUPAC Name: 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol
• SMILES: Cc1cccc(-c2cc(C)c(O)c(C)c2)n1.Cc1cccc(-c2ccc(O)c(C(F)(F)F)c2)n1.Cc1cccc(-c2ccc(O)c(Cl)c2)n1.Cc1cccc(-c2ccc(O)c(F)c2)n1.Cc1cccc(-c2ccc(O)cc2)n1.Cc1cccc(-c2ccc(O)cc2C)n1
• InChI: InChI=1S/C14H15NO.C13H10F3NO.C13H13NO.C12H10ClNO.C12H10FNO.C12H11NO/c1-9-7-12(8-10(2)14(9)16)13-6-4-5-11(3)15-13;1-8-3-2-4-11(17-8)9-5-6-12(18)10(7-9)13(14,15)16;1-9-8-11(15)6-7-12(9)13-5-3-4-10(2)14-13;2*1-8-3-2-4-11(14-8)9-5-6-12(15)10(13)7-9;1-9-3-2-4-12(13-9)10-5-7-11(14)8-6-10/h4-8,16H,1-3H3;2-7,18H,1H3;3-8,15H,1-2H3;2*2-7,15H,1H3;2-8,14H,1H3
• InChIKey: VNSCZHDTTKKTHM-UHFFFAOYSA-N
• XLogP: 19.31
• TPSA: 198.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1273.87
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol?

The IUPAC name of 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol (CID 161349194) is 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol.

What is the SMILES notation for 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol?

The canonical SMILES for 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol is Cc1cccc(-c2cc(C)c(O)c(C)c2)n1.Cc1cccc(-c2ccc(O)c(C(F)(F)F)c2)n1.Cc1cccc(-c2ccc(O)c(Cl)c2)n1.Cc1cccc(-c2ccc(O)c(F)c2)n1.Cc1cccc(-c2ccc(O)cc2)n1.Cc1cccc(-c2ccc(O)cc2C)n1.

What is the InChIKey of 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol?

The InChIKey is VNSCZHDTTKKTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C13H10F3NO.C13H13NO.C12H10ClNO.C12H10FNO.C12H11NO/c1-9-7-12(8-10(2)14(9)16)13-6-4-5-11(3)15-13;1-8-3-2-4-11(17-8)9-5-6-12(18)10(7-9)13(14,15)16;1-9-8-11(15)6-7-12(9)13-5-3-4-10(2)14-13;2*1-8-3-2-4-11(14-8)9-5-6-12(15)10(13)7-9;1-9-3-2-4-12(13-9)10-5-7-11(14)8-6-10/h4-8,16H,1-3H3;2-7,18H,1H3;3-8,15H,1-2H3;2*2-7,15H,1H3;2-8,14H,1H3.

What are the key properties of 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol?

2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol has a molecular weight of 1273.87 g/mol, XLogP of 19.31, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(6-methyl-2-pyridinyl)phenol;2,6-dimethyl-4-(6-methyl-2-pyridinyl)phenol;2-fluoro-4-(6-methyl-2-pyridinyl)phenol;3-methyl-4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)phenol;4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 161349194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).