3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine

C60H59BBrCl2F11N12O6S2 — CID 165107430

About 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine

3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 165107430) has the molecular formula C60H59BBrCl2F11N12O6S2 and a molecular weight of 1478.94 g/mol. Its IUPAC name is 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 165107430
• Molecular Formula: C60H59BBrCl2F11N12O6S2
• Molecular Weight: 1478.94 g/mol
• Exact Mass: 1476.26
• IUPAC Name: 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
• SMILES: CC(C)c1ccncc1-c1nc(N)ccc1C(F)(F)F.CC(C)c1ccncc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.CC(C)c1ccncc1B(O)O.CC(C)c1ccncc1Br.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1
• InChI: InChI=1S/C19H16F4N4O2S.C14H14F3N3.C8H12BNO2.C8H10BrN.C6H4ClF3N2.C5H3ClFNO2S/c1-11(2)12-8-9-24-10-13(12)18-14(19(21,22)23)6-7-16(26-18)27-30(28,29)17-5-3-4-15(20)25-17;1-8(2)9-5-6-19-7-10(9)13-11(14(15,16)17)3-4-12(18)20-13;1-6(2)7-3-4-10-5-8(7)9(11)12;1-6(2)7-3-4-10-5-8(7)9;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/h3-11H,1-2H3,(H,26,27);3-8H,1-2H3,(H2,18,20);3-6,11-12H,1-2H3;3-6H,1-2H3;1-2H,(H2,11,12);1-3H
• InChIKey: ZJLVMOJVDSUWGU-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 288.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.94
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine (CID 165107430) is 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine is CC(C)c1ccncc1-c1nc(N)ccc1C(F)(F)F.CC(C)c1ccncc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.CC(C)c1ccncc1B(O)O.CC(C)c1ccncc1Br.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1.

What is the InChIKey of 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine?

The InChIKey is ZJLVMOJVDSUWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2S.C14H14F3N3.C8H12BNO2.C8H10BrN.C6H4ClF3N2.C5H3ClFNO2S/c1-11(2)12-8-9-24-10-13(12)18-14(19(21,22)23)6-7-16(26-18)27-30(28,29)17-5-3-4-15(20)25-17;1-8(2)9-5-6-19-7-10(9)13-11(14(15,16)17)3-4-12(18)20-13;1-6(2)7-3-4-10-5-8(7)9(11)12;1-6(2)7-3-4-10-5-8(7)9;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/h3-11H,1-2H3,(H,26,27);3-8H,1-2H3,(H2,18,20);3-6,11-12H,1-2H3;3-6H,1-2H3;1-2H,(H2,11,12);1-3H.

What are the key properties of 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine?

3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1478.94 g/mol, XLogP of 14.83, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-propan-2-ylpyridine;6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(4-propan-2-yl-3-pyridinyl)boronic acid;6-(4-propan-2-yl-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 165107430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).