4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol

C71H62Cl4N8O6 — CID 158543660

About 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol

4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol (PubChem CID 158543660) has the molecular formula C71H62Cl4N8O6 and a molecular weight of 1265.14 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol.

Molecular Properties

• Compound Name: 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol
• PubChem CID: 158543660
• Molecular Formula: C71H62Cl4N8O6
• Molecular Weight: 1265.14 g/mol
• Exact Mass: 1262.35
• IUPAC Name: 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol
• SMILES: Cc1cc(-c2cc(Cl)ccn2)ccc1O.Cc1cc(-c2ccc(Cl)cn2)ccc1O.Cc1cc(-c2ccc(Cl)nn2)ccc1O.Cc1cc(-c2cccc(Cl)n2)ccc1O.Cc1cc(-c2ccccn2)ccc1O.Cc1ccnc(-c2ccc(O)c(C)c2)n1
• InChI: InChI=1S/3C12H10ClNO.C12H12N2O.C12H11NO.C11H9ClN2O/c1-8-6-9(2-5-12(8)15)11-4-3-10(13)7-14-11;1-8-6-9(2-3-12(8)15)11-7-10(13)4-5-14-11;1-8-7-9(5-6-11(8)15)10-3-2-4-12(13)14-10;1-8-7-10(3-4-11(8)15)12-13-6-5-9(2)14-12;1-9-8-10(5-6-12(9)14)11-4-2-3-7-13-11;1-7-6-8(2-4-10(7)15)9-3-5-11(12)14-13-9/h3*2-7,15H,1H3;3-7,15H,1-2H3;2-8,14H,1H3;2-6,15H,1H3
• InChIKey: HOVLXKJTSLVZHJ-UHFFFAOYSA-N
• XLogP: 18.29
• TPSA: 224.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1265.14
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol?

The IUPAC name of 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol (CID 158543660) is 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol.

What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol?

The canonical SMILES for 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol is Cc1cc(-c2cc(Cl)ccn2)ccc1O.Cc1cc(-c2ccc(Cl)cn2)ccc1O.Cc1cc(-c2ccc(Cl)nn2)ccc1O.Cc1cc(-c2cccc(Cl)n2)ccc1O.Cc1cc(-c2ccccn2)ccc1O.Cc1ccnc(-c2ccc(O)c(C)c2)n1.

What is the InChIKey of 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol?

The InChIKey is HOVLXKJTSLVZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H10ClNO.C12H12N2O.C12H11NO.C11H9ClN2O/c1-8-6-9(2-5-12(8)15)11-4-3-10(13)7-14-11;1-8-6-9(2-3-12(8)15)11-7-10(13)4-5-14-11;1-8-7-9(5-6-11(8)15)10-3-2-4-12(13)14-10;1-8-7-10(3-4-11(8)15)12-13-6-5-9(2)14-12;1-9-8-10(5-6-12(9)14)11-4-2-3-7-13-11;1-7-6-8(2-4-10(7)15)9-3-5-11(12)14-13-9/h3*2-7,15H,1H3;3-7,15H,1-2H3;2-8,14H,1H3;2-6,15H,1H3.

What are the key properties of 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol?

4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol has a molecular weight of 1265.14 g/mol, XLogP of 18.29, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloropyridazin-3-yl)-2-methylphenol;4-(4-chloro-2-pyridinyl)-2-methylphenol;4-(5-chloro-2-pyridinyl)-2-methylphenol;4-(6-chloro-2-pyridinyl)-2-methylphenol;2-methyl-4-(4-methylpyrimidin-2-yl)phenol;2-methyl-4-pyridin-2-ylphenol is sourced from PubChem (CID 158543660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).