3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C47H35Cl4F9N12 — CID 160503825

About 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 160503825) has the molecular formula C47H35Cl4F9N12 and a molecular weight of 1080.67 g/mol. Its IUPAC name is 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 160503825
• Molecular Formula: C47H35Cl4F9N12
• Molecular Weight: 1080.67 g/mol
• Exact Mass: 1078.17
• IUPAC Name: 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: Cc1cc2c(cn1)[nH]c1ncc(C(F)(F)F)cc12.Cc1ccc(Nc2ncc(C(F)(F)F)cc2Cl)cn1.Cc1cnc(Cl)c(Cl)c1.Cc1cnc2[nH]c3ccc(C(F)(F)F)nc3c2c1.Nc1ccc(Cl)nc1
• InChI: InChI=1S/C12H9ClF3N3.2C12H8F3N3.C6H5Cl2N.C5H5ClN2/c1-7-2-3-9(6-17-7)19-11-10(13)4-8(5-18-11)12(14,15)16;1-6-2-8-9-3-7(12(13,14)15)4-17-11(9)18-10(8)5-16-6;1-6-4-7-10-8(17-11(7)16-5-6)2-3-9(18-10)12(13,14)15;1-4-2-5(7)6(8)9-3-4;6-5-2-1-4(7)3-8-5/h2-6H,1H3,(H,18,19);2-5H,1H3,(H,17,18);2-5H,1H3,(H,16,17);2-3H,1H3;1-3H,7H2
• InChIKey: QSCYTRPBXDUSTK-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 172.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.67
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 160503825) is 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1cc2c(cn1)[nH]c1ncc(C(F)(F)F)cc12.Cc1ccc(Nc2ncc(C(F)(F)F)cc2Cl)cn1.Cc1cnc(Cl)c(Cl)c1.Cc1cnc2[nH]c3ccc(C(F)(F)F)nc3c2c1.Nc1ccc(Cl)nc1.

What is the InChIKey of 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is QSCYTRPBXDUSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3.2C12H8F3N3.C6H5Cl2N.C5H5ClN2/c1-7-2-3-9(6-17-7)19-11-10(13)4-8(5-18-11)12(14,15)16;1-6-2-8-9-3-7(12(13,14)15)4-17-11(9)18-10(8)5-16-6;1-6-4-7-10-8(17-11(7)16-5-6)2-3-9(18-10)12(13,14)15;1-4-2-5(7)6(8)9-3-4;6-5-2-1-4(7)3-8-5/h2-6H,1H3,(H,18,19);2-5H,1H3,(H,17,18);2-5H,1H3,(H,16,17);2-3H,1H3;1-3H,7H2.

What are the key properties of 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 1080.67 g/mol, XLogP of 15.09, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine;6-chloropyridin-3-amine;2,3-dichloro-5-methylpyridine;4-methyl-12-(trifluoromethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-4-(trifluoromethyl)-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 160503825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).