2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene

C105H131ClF3N17OS5 — CID 157392960

About 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene

2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene (PubChem CID 157392960) has the molecular formula C105H131ClF3N17OS5 and a molecular weight of 1900.10 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene.

Molecular Properties

• Compound Name: 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene
• PubChem CID: 157392960
• Molecular Formula: C105H131ClF3N17OS5
• Molecular Weight: 1900.10 g/mol
• Exact Mass: 1897.90
• IUPAC Name: 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene
• SMILES: Cc1cc(N)cs1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(N)n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(N)s1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccc1N.Cc1cccnc1N.Cc1cccs1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cnc(Cl)c(F)c1.Cc1ncc(N)s1.Cc1nccs1
• InChI: InChI=1S/C8H9F.C8H10.C7H8FN.C7H10N2.2C7H9N.C7H8O.C7H8.C6H5ClFN.3C6H8N2.2C5H7NS.C5H6S.C4H6N2S.C4H5NS/c1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;1-5-3-7(8)6(2)9-4-5;1-5-3-4-6(2)9-7(5)8;1-6-3-4-7(2)8-5-6;1-6-4-2-3-5-7(6)8;1-6-3-2-4-7(8)5-6;1-7-5-3-2-4-6-7;1-4-2-5(8)6(7)9-3-4;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-2-4-8-6(5)7;1-4-2-5(6)3-7-4;1-4-2-3-5(6)7-4;1-5-3-2-4-6-5;1-3-6-2-4(5)7-3;1-4-5-2-3-6-4/h3-5H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3-4H,1-2H3,(H2,8,9);3-5H,1-2H3;2-5H,8H2,1H3;2-5,8H,1H3;2-6H,1H3;2-3H,1H3;2*3-4H,1-2H3;2-4H,1H3,(H2,7,8);2*2-3H,6H2,1H3;2-4H,1H3;2H,5H2,1H3;2-3H,1H3
• InChIKey: BMFNZVQVTDRVFE-UHFFFAOYSA-N
• XLogP: 28.00
• TPSA: 318.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1900.10
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene?

The IUPAC name of 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene (CID 157392960) is 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene.

What is the SMILES notation for 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene?

The canonical SMILES for 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene is Cc1cc(N)cs1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(N)n1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(N)s1.Cc1cccc(O)c1.Cc1ccccc1.Cc1ccccc1N.Cc1cccnc1N.Cc1cccs1.Cc1cnc(C)c(F)c1.Cc1cnc(C)nc1.Cc1cnc(Cl)c(F)c1.Cc1ncc(N)s1.Cc1nccs1.

What is the InChIKey of 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene?

The InChIKey is BMFNZVQVTDRVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C8H10.C7H8FN.C7H10N2.2C7H9N.C7H8O.C7H8.C6H5ClFN.3C6H8N2.2C5H7NS.C5H6S.C4H6N2S.C4H5NS/c1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;1-5-3-7(8)6(2)9-4-5;1-5-3-4-6(2)9-7(5)8;1-6-3-4-7(2)8-5-6;1-6-4-2-3-5-7(6)8;1-6-3-2-4-7(8)5-6;1-7-5-3-2-4-6-7;1-4-2-5(8)6(7)9-3-4;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-2-4-8-6(5)7;1-4-2-5(6)3-7-4;1-4-2-3-5(6)7-4;1-5-3-2-4-6-5;1-3-6-2-4(5)7-3;1-4-5-2-3-6-4/h3-5H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3-4H,1-2H3,(H2,8,9);3-5H,1-2H3;2-5H,8H2,1H3;2-5,8H,1H3;2-6H,1H3;2-3H,1H3;2*3-4H,1-2H3;2-4H,1H3,(H2,7,8);2*2-3H,6H2,1H3;2-4H,1H3;2H,5H2,1H3;2-3H,1H3.

What are the key properties of 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene?

2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene has a molecular weight of 1900.10 g/mol, XLogP of 28.00, 0 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-fluoro-5-methylpyridine;3,6-dimethylpyridazine;3,6-dimethylpyridin-2-amine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2-fluoro-1,4-dimethylbenzene;3-fluoro-2,5-dimethylpyridine;2-methylaniline;3-methylphenol;3-methylpyridin-2-amine;2-methyl-1,3-thiazol-5-amine;2-methyl-1,3-thiazole;5-methylthiophen-2-amine;5-methylthiophen-3-amine;2-methylthiophene;toluene;1,4-xylene is sourced from PubChem (CID 157392960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).