5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine

C39H36F4N10O4 — CID 159760128

About 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine

5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine (PubChem CID 159760128) has the molecular formula C39H36F4N10O4 and a molecular weight of 784.77 g/mol. Its IUPAC name is 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine
• PubChem CID: 159760128
• Molecular Formula: C39H36F4N10O4
• Molecular Weight: 784.77 g/mol
• Exact Mass: 784.29
• IUPAC Name: 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine
• SMILES: Cc1ccc(C#N)cn1.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(F)cn1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccc([N+](=O)[O-])nc1
• InChI: InChI=1S/C7H6F3N.2C7H6N2.C6H6FN.2C6H6N2O2/c1-5-2-3-6(4-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-2-3-7(4-8)9-5-6;1-5-2-3-6(7)4-8-5;1-5-2-3-6(4-7-5)8(9)10;1-5-2-3-6(7-4-5)8(9)10/h2-4H,1H3;2*2-3,5H,1H3;2-4H,1H3;2*2-4H,1H3
• InChIKey: NETPCTGIABYAEG-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 211.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	784.77
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine?

The IUPAC name of 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine (CID 159760128) is 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine?

The canonical SMILES for 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine is Cc1ccc(C#N)cn1.Cc1ccc(C#N)nc1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(F)cn1.Cc1ccc([N+](=O)[O-])cn1.Cc1ccc([N+](=O)[O-])nc1.

What is the InChIKey of 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine?

The InChIKey is NETPCTGIABYAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.2C7H6N2.C6H6FN.2C6H6N2O2/c1-5-2-3-6(4-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-2-3-7(4-8)9-5-6;1-5-2-3-6(7)4-8-5;1-5-2-3-6(4-7-5)8(9)10;1-5-2-3-6(7-4-5)8(9)10/h2-4H,1H3;2*2-3,5H,1H3;2-4H,1H3;2*2-4H,1H3.

What are the key properties of 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine?

5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 784.77 g/mol, XLogP of 9.06, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-methylpyridine;2-methyl-5-nitropyridine;5-methyl-2-nitropyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;2-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159760128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).