6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine

C177H171Cl7FN23O8S4 — CID 160656309

About 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine

6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine (PubChem CID 160656309) has the molecular formula C177H171Cl7FN23O8S4 and a molecular weight of 3143.90 g/mol. Its IUPAC name is 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine.

Molecular Properties

• Compound Name: 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine
• PubChem CID: 160656309
• Molecular Formula: C177H171Cl7FN23O8S4
• Molecular Weight: 3143.90 g/mol
• Exact Mass: 3138.04
• IUPAC Name: 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine
• 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.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2c(c1)NCC2.Cc1ccc2cc[nH]c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.[H]/N=C(\N)c1cc2cc(Cl)ccc2cc1C
• InChI: InChI=1S/C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C11H8ClF.C11H10ClNO2S.2C9H10N2.C9H9NO.C9H11N.C9H9N.C9H11N.C9H9N.2C8H8N2O.2C8H8N2S/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;1-7-4-8-2-3-10(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;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-7-5-10-9(11)8(7)4-6;2*1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-6H,1H3;2-6H,1H3,(H2,13,14,15);2*2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;4*2-4H,1H3,(H2,9,10)
• InChIKey: RLBZYHGCLVFVOQ-UHFFFAOYSA-N
• XLogP: 42.87
• TPSA: 580.49 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 27
• Rotatable Bonds: 5
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3143.90
LogP ≤ 5	42.87
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?

The IUPAC name of 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine (CID 160656309) is 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine.

What is the SMILES notation for 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?

The canonical SMILES for 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine 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.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2c(c1)NCC2.Cc1ccc2cc[nH]c2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.[H]/N=C(\N)c1cc2cc(Cl)ccc2cc1C.

What is the InChIKey of 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?

The InChIKey is RLBZYHGCLVFVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C11H8ClF.C11H10ClNO2S.2C9H10N2.C9H9NO.C9H11N.C9H9N.C9H11N.C9H9N.2C8H8N2O.2C8H8N2S/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;1-7-4-8-2-3-10(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;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-7-5-10-9(11)8(7)4-6;2*1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-6H,1H3;2-6H,1H3,(H2,13,14,15);2*2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;4*2-4H,1H3,(H2,9,10).

What are the key properties of 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?

6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine has a molecular weight of 3143.90 g/mol, XLogP of 42.87, 5 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-fluoro-2-methylnaphthalene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;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;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine is sourced from PubChem (CID 160656309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).