3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine

C104H178F2N10O5S3 — CID 161013173

About 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine

3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine (PubChem CID 161013173) has the molecular formula C104H178F2N10O5S3 and a molecular weight of 1782.83 g/mol. Its IUPAC name is 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine
• PubChem CID: 161013173
• Molecular Formula: C104H178F2N10O5S3
• Molecular Weight: 1782.83 g/mol
• Exact Mass: 1781.31
• IUPAC Name: 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C=[N+]1C=CC=C(F)[C-]1C(C)C.C=[N+]1C=CC=C(SC)[C-]1C(C)C.C=[N+]1C=CC=C(SOC)[C-]1C(C)C.C=[N+]1C=CC=C(SOOC)[C-]1C(C)C.CC(C)c1ccccn1.COc1ccc(C)nc1C(C)C.COc1ccncc1C(C)C.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)c1F
• InChI: InChI=1S/C10H15NO2S.C10H15NOS.C10H15NO.C10H15NS.2C9H12FN.C9H13NO.2C9H13N.C8H11N.11CH4/c1-8(2)10-9(14-13-12-4)6-5-7-11(10)3;1-8(2)10-9(13-12-4)6-5-7-11(10)3;1-7(2)10-9(12-4)6-5-8(3)11-10;1-8(2)10-9(12-4)6-5-7-11(10)3;1-7(2)9-8(10)5-4-6-11(9)3;1-6(2)9-8(10)7(3)4-5-11-9;1-7(2)8-6-10-5-4-9(8)11-3;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-3-4-6-9-8;;;;;;;;;;;/h5-8H,3H2,1-2,4H3;5-8H,3H2,1-2,4H3;5-7H,1-4H3;5-8H,3H2,1-2,4H3;4-7H,3H2,1-2H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;11*1H4
• InChIKey: TXJMDYZOLLQQRX-UHFFFAOYSA-N
• XLogP: 31.67
• TPSA: 135.53 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1782.83
LogP ≤ 5	31.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine?

The IUPAC name of 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine (CID 161013173) is 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine.

What is the SMILES notation for 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine?

The canonical SMILES for 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine is C.C.C.C.C.C.C.C.C.C.C.C=[N+]1C=CC=C(F)[C-]1C(C)C.C=[N+]1C=CC=C(SC)[C-]1C(C)C.C=[N+]1C=CC=C(SOC)[C-]1C(C)C.C=[N+]1C=CC=C(SOOC)[C-]1C(C)C.CC(C)c1ccccn1.COc1ccc(C)nc1C(C)C.COc1ccncc1C(C)C.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)c1F.

What is the InChIKey of 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine?

The InChIKey is TXJMDYZOLLQQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S.C10H15NOS.C10H15NO.C10H15NS.2C9H12FN.C9H13NO.2C9H13N.C8H11N.11CH4/c1-8(2)10-9(14-13-12-4)6-5-7-11(10)3;1-8(2)10-9(13-12-4)6-5-7-11(10)3;1-7(2)10-9(12-4)6-5-8(3)11-10;1-8(2)10-9(12-4)6-5-7-11(10)3;1-7(2)9-8(10)5-4-6-11(9)3;1-6(2)9-8(10)7(3)4-5-11-9;1-7(2)8-6-10-5-4-9(8)11-3;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-7(2)8-5-3-4-6-9-8;;;;;;;;;;;/h5-8H,3H2,1-2,4H3;5-8H,3H2,1-2,4H3;5-7H,1-4H3;5-8H,3H2,1-2,4H3;4-7H,3H2,1-2H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;11*1H4.

What are the key properties of 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine?

3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine has a molecular weight of 1782.83 g/mol, XLogP of 31.67, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine is sourced from PubChem (CID 161013173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).