1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide

C176H201Cl9F5N23O11S3 — CID 158141374

About 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide

1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide (PubChem CID 158141374) has the molecular formula C176H201Cl9F5N23O11S3 and a molecular weight of 3324.96 g/mol. Its IUPAC name is 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide
• PubChem CID: 158141374
• Molecular Formula: C176H201Cl9F5N23O11S3
• Molecular Weight: 3324.96 g/mol
• Exact Mass: 3318.22
• IUPAC Name: 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide
• SMILES: COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)n1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
• InChI: InChI=1S/C11H8Cl2.C11H8ClF.C9H9N3O.C9H11NO2.4C8H10FN.C8H11NO3S.C8H9NO.2C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C7H8N2O.C7H9NO2S.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-5-3-2-4-6(9-5)7(8)10;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2*2-6H,1H3;2-5H,1H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-4H,1H3,(H2,8,10);2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3
• InChIKey: FTZDUJJIWXCJIU-UHFFFAOYSA-N
• XLogP: 40.58
• TPSA: 663.47 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3324.96
LogP ≤ 5	40.58
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide?

The IUPAC name of 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide (CID 158141374) is 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide.

What is the SMILES notation for 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide?

The canonical SMILES for 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide is COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)n1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.

What is the InChIKey of 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide?

The InChIKey is FTZDUJJIWXCJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2.C11H8ClF.C9H9N3O.C9H11NO2.4C8H10FN.C8H11NO3S.C8H9NO.2C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C7H8N2O.C7H9NO2S.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-4-7(12-2)5-8(6)9(10)11;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-5-3-2-4-6(9-5)7(8)10;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2*2-6H,1H3;2-5H,1H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-4H,1H3,(H2,8,10);2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3.

What are the key properties of 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide?

1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide has a molecular weight of 3324.96 g/mol, XLogP of 40.58, 15 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylpyridine-2-carboxamide is sourced from PubChem (CID 158141374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).