2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine

C95H84F6N10O7 — CID 157438977

About 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine

2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 157438977) has the molecular formula C95H84F6N10O7 and a molecular weight of 1591.77 g/mol. Its IUPAC name is 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

• Compound Name: 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine
• PubChem CID: 157438977
• Molecular Formula: C95H84F6N10O7
• Molecular Weight: 1591.77 g/mol
• Exact Mass: 1590.64
• IUPAC Name: 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine
• SMILES: CC(=O)Nc1cccc(-c2cccc(C)n2)c1.CC(=O)c1cccc(-c2cccc(C)n2)c1.COC(=O)Nc1cccc(-c2cccc(C)n2)c1.COC(=O)c1cccc(-c2cccc(C)n2)c1.Cc1cccc(-c2cccc(C(F)(F)F)c2)n1.Cc1cccc(-c2cccc(OC(F)(F)F)c2)n1.[C-]#[N+]c1cccc(-c2cccc(C)n2)c1
• InChI: InChI=1S/C14H14N2O2.C14H14N2O.C14H13NO2.C14H13NO.C13H10F3NO.C13H10F3N.C13H10N2/c1-10-5-3-8-13(15-10)11-6-4-7-12(9-11)16-14(17)18-2;1-10-5-3-8-14(15-10)12-6-4-7-13(9-12)16-11(2)17;1-10-5-3-8-13(15-10)11-6-4-7-12(9-11)14(16)17-2;1-10-5-3-8-14(15-10)13-7-4-6-12(9-13)11(2)16;1-9-4-2-7-12(17-9)10-5-3-6-11(8-10)18-13(14,15)16;1-9-4-2-7-12(17-9)10-5-3-6-11(8-10)13(14,15)16;1-10-5-3-8-13(15-10)11-6-4-7-12(9-11)14-2/h3-9H,1-2H3,(H,16,17);3-9H,1-2H3,(H,16,17);3-9H,1-2H3;3-9H,1-2H3;2-8H,1H3;2-8H,1H3;3-9H,1H3
• InChIKey: BRLBXTIPWIJKIM-UHFFFAOYSA-N
• XLogP: 23.99
• TPSA: 214.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1591.77
LogP ≤ 5	23.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine?

The IUPAC name of 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine (CID 157438977) is 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine.

What is the SMILES notation for 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine?

The canonical SMILES for 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine is CC(=O)Nc1cccc(-c2cccc(C)n2)c1.CC(=O)c1cccc(-c2cccc(C)n2)c1.COC(=O)Nc1cccc(-c2cccc(C)n2)c1.COC(=O)c1cccc(-c2cccc(C)n2)c1.Cc1cccc(-c2cccc(C(F)(F)F)c2)n1.Cc1cccc(-c2cccc(OC(F)(F)F)c2)n1.[C-]#[N+]c1cccc(-c2cccc(C)n2)c1.

What is the InChIKey of 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine?

The InChIKey is BRLBXTIPWIJKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.C14H14N2O.C14H13NO2.C14H13NO.C13H10F3NO.C13H10F3N.C13H10N2/c1-10-5-3-8-13(15-10)11-6-4-7-12(9-11)16-14(17)18-2;1-10-5-3-8-14(15-10)12-6-4-7-13(9-12)16-11(2)17;1-10-5-3-8-13(15-10)11-6-4-7-12(9-11)14(16)17-2;1-10-5-3-8-14(15-10)13-7-4-6-12(9-13)11(2)16;1-9-4-2-7-12(17-9)10-5-3-6-11(8-10)18-13(14,15)16;1-9-4-2-7-12(17-9)10-5-3-6-11(8-10)13(14,15)16;1-10-5-3-8-13(15-10)11-6-4-7-12(9-11)14-2/h3-9H,1-2H3,(H,16,17);3-9H,1-2H3,(H,16,17);3-9H,1-2H3;3-9H,1-2H3;2-8H,1H3;2-8H,1H3;3-9H,1H3.

What are the key properties of 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine?

2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 1591.77 g/mol, XLogP of 23.99, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-isocyanophenyl)-6-methylpyridine;methyl 3-(6-methyl-2-pyridinyl)benzoate;methyl N-[3-(6-methyl-2-pyridinyl)phenyl]carbamate;N-[3-(6-methyl-2-pyridinyl)phenyl]acetamide;1-[3-(6-methyl-2-pyridinyl)phenyl]ethanone;2-methyl-6-[3-(trifluoromethoxy)phenyl]pyridine;2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 157438977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).