6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine

C49H40BCl2F11N8O6S2 — CID 165096070

About 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine

6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 165096070) has the molecular formula C49H40BCl2F11N8O6S2 and a molecular weight of 1191.74 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 165096070
• Molecular Formula: C49H40BCl2F11N8O6S2
• Molecular Weight: 1191.74 g/mol
• Exact Mass: 1190.18
• IUPAC Name: 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine
• SMILES: Cc1ccccc1-c1nc(N)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.Cc1ccccc1B(O)O.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1
• InChI: InChI=1S/C18H13F4N3O2S.C13H11F3N2.C7H9BO2.C6H4ClF3N2.C5H3ClFNO2S/c1-11-5-2-3-6-12(11)17-13(18(20,21)22)9-10-15(24-17)25-28(26,27)16-8-4-7-14(19)23-16;1-8-4-2-3-5-9(8)12-10(13(14,15)16)6-7-11(17)18-12;1-6-4-2-3-5-7(6)8(9)10;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5/h2-10H,1H3,(H,24,25);2-7H,1H3,(H2,17,18);2-5,9-10H,1H3;1-2H,(H2,11,12);1-3H
• InChIKey: XNJSOUXMWAVECO-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 237.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1191.74
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine (CID 165096070) is 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine is Cc1ccccc1-c1nc(N)ccc1C(F)(F)F.Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.Cc1ccccc1B(O)O.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1.

What is the InChIKey of 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine?

The InChIKey is XNJSOUXMWAVECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O2S.C13H11F3N2.C7H9BO2.C6H4ClF3N2.C5H3ClFNO2S/c1-11-5-2-3-6-12(11)17-13(18(20,21)22)9-10-15(24-17)25-28(26,27)16-8-4-7-14(19)23-16;1-8-4-2-3-5-9(8)12-10(13(14,15)16)6-7-11(17)18-12;1-6-4-2-3-5-7(6)8(9)10;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5/h2-10H,1H3,(H,24,25);2-7H,1H3,(H2,17,18);2-5,9-10H,1H3;1-2H,(H2,11,12);1-3H.

What are the key properties of 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine?

6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1191.74 g/mol, XLogP of 11.23, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 165096070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).