6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine

C198H177Cl9F2N14O11S4 — CID 172917350

About 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine

6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine (PubChem CID 172917350) has the molecular formula C198H177Cl9F2N14O11S4 and a molecular weight of 3414.02 g/mol. Its IUPAC name is 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine.

Molecular Properties

• Compound Name: 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine
• PubChem CID: 172917350
• Molecular Formula: C198H177Cl9F2N14O11S4
• Molecular Weight: 3414.02 g/mol
• Exact Mass: 3406.98
• IUPAC Name: 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine
• SMILES: Cc1cc2ccc(Cl)cc2cc1C#N.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1F.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc2cc(Cl)ccc2c1.[H]/N=C(\N)c1cc2cc(Cl)ccc2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C
• InChI: InChI=1S/C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C12H12N2O.C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.C11H8ClF.C11H10ClNO2S.2C11H9Cl.C11H9F.C11H11NO2S/c2*1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;2*1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14/h2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2-6H,1H3;2-6H,1H3,(H2,13,14,15);3*2-7H,1H3;2-7H,1H3,(H2,12,13,14)
• InChIKey: KXRJWSHRHRDNFO-UHFFFAOYSA-N
• XLogP: 50.30
• TPSA: 532.75 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3414.02
LogP ≤ 5	50.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine?

The IUPAC name of 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine (CID 172917350) is 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine.

What is the SMILES notation for 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine?

The canonical SMILES for 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine is Cc1cc2ccc(Cl)cc2cc1C#N.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1F.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1S(N)(=O)=O.Cc1ccc2cc(Cl)ccc2c1.[H]/N=C(\N)c1cc2cc(Cl)ccc2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C.

What is the InChIKey of 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine?

The InChIKey is KXRJWSHRHRDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C12H12N2O.C12H12N2.C12H11NO.C12H13N.C12H9N.C12H12O2S.C11H8ClF.C11H10ClNO2S.2C11H9Cl.C11H9F.C11H11NO2S/c2*1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;2*1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;1-7-4-8-2-3-10(12)5-9(8)6-11(7)13;1-7-4-8-2-3-10(12)5-9(8)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-8-6-9-4-2-3-5-10(9)7-11(8)15(12,13)14/h2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2-6H,1H3;2-6H,1H3,(H2,13,14,15);3*2-7H,1H3;2-7H,1H3,(H2,12,13,14).

What are the key properties of 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine?

6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine has a molecular weight of 3414.02 g/mol, XLogP of 50.30, 11 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carbonitrile;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-carboximidamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 172917350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).