6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

C79H78B2BrCl7F5N17O8S2 — CID 165073170

About 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (PubChem CID 165073170) has the molecular formula C79H78B2BrCl7F5N17O8S2 and a molecular weight of 1902.43 g/mol. Its IUPAC name is 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
• PubChem CID: 165073170
• Molecular Formula: C79H78B2BrCl7F5N17O8S2
• Molecular Weight: 1902.43 g/mol
• Exact Mass: 1897.28
• IUPAC Name: 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
• SMILES: C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1ncccc1-c1nc(N)ccc1Cl.CC(C)c1ncccc1-c1nc(N)ccc1Cl.CC(C)c1ncccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl.Nc1ccc(C(F)(F)F)c(Br)n1.Nc1ccc(Cl)c(-c2cccnc2Cl)n1.O=S(=O)(Cl)c1cccc(F)n1.OB(O)c1cccnc1Cl
• InChI: InChI=1S/C18H16ClFN4O2S.C13H14ClN3.C13H12ClN3.C10H7Cl2N3.C9H17BO2.C6H4BrF3N2.C5H5BClNO2.C5H3ClFNO2S/c1-11(2)17-12(5-4-10-21-17)18-13(19)8-9-15(23-18)24-27(25,26)16-7-3-6-14(20)22-16;2*1-8(2)12-9(4-3-7-16-12)13-10(14)5-6-11(15)17-13;11-7-3-4-8(13)15-9(7)6-2-1-5-14-10(6)12;1-7(2)10-11-8(3,4)9(5,6)12-10;7-5-3(6(8,9)10)1-2-4(11)12-5;7-5-4(6(9)10)2-1-3-8-5;6-11(9,10)5-3-1-2-4(7)8-5/h3-11H,1-2H3,(H,23,24);3-8H,1-2H3,(H2,15,17);3-7H,1H2,2H3,(H2,15,17);1-5H,(H2,13,15);1H2,2-6H3;1-2H,(H2,11,12);1-3,9-10H;1-3H
• InChIKey: TWFRFCBTJOUDGU-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 397.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.43
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

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-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (CID 165073170) is 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.

What is the SMILES notation for 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

The canonical SMILES for 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1ncccc1-c1nc(N)ccc1Cl.CC(C)c1ncccc1-c1nc(N)ccc1Cl.CC(C)c1ncccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl.Nc1ccc(C(F)(F)F)c(Br)n1.Nc1ccc(Cl)c(-c2cccnc2Cl)n1.O=S(=O)(Cl)c1cccc(F)n1.OB(O)c1cccnc1Cl.

What is the InChIKey of 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

The InChIKey is TWFRFCBTJOUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2S.C13H14ClN3.C13H12ClN3.C10H7Cl2N3.C9H17BO2.C6H4BrF3N2.C5H5BClNO2.C5H3ClFNO2S/c1-11(2)17-12(5-4-10-21-17)18-13(19)8-9-15(23-18)24-27(25,26)16-7-3-6-14(20)22-16;2*1-8(2)12-9(4-3-7-16-12)13-10(14)5-6-11(15)17-13;11-7-3-4-8(13)15-9(7)6-2-1-5-14-10(6)12;1-7(2)10-11-8(3,4)9(5,6)12-10;7-5-3(6(8,9)10)1-2-4(11)12-5;7-5-4(6(9)10)2-1-3-8-5;6-11(9,10)5-3-1-2-4(7)8-5/h3-11H,1-2H3,(H,23,24);3-8H,1-2H3,(H2,15,17);3-7H,1H2,2H3,(H2,15,17);1-5H,(H2,13,15);1H2,2-6H3;1-2H,(H2,11,12);1-3,9-10H;1-3H.

What are the key properties of 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?

6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane has a molecular weight of 1902.43 g/mol, XLogP of 19.40, 13 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-5-(trifluoromethyl)pyridin-2-amine;5-chloro-6-(2-chloro-3-pyridinyl)pyridin-2-amine;5-chloro-6-(2-propan-2-yl-3-pyridinyl)pyridin-2-amine;N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;5-chloro-6-(2-prop-1-en-2-yl-3-pyridinyl)pyridin-2-amine;(2-chloro-3-pyridinyl)boronic acid;6-fluoropyridine-2-sulfonyl chloride;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 165073170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).