2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride

C71H81BBrClF15N15O8 — CID 158180218

About 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride

2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 158180218) has the molecular formula C71H81BBrClF15N15O8 and a molecular weight of 1683.66 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride
• PubChem CID: 158180218
• Molecular Formula: C71H81BBrClF15N15O8
• Molecular Weight: 1683.66 g/mol
• Exact Mass: 1681.51
• IUPAC Name: 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride
• SMILES: CC(C)(C)OC(=O)n1nccc1-c1cc(C(F)(F)F)ccn1.CC(C)(C)OC(=O)n1nccc1[C@@H]1C[C@H](C(F)(F)F)CCN1.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Cl.FC(F)(F)c1ccnc(-c2ccn[nH]2)c1.FC(F)(F)c1ccnc(-c2ccnn2C2CCCCO2)c1.FC(F)(F)c1ccnc(Br)c1
• InChI: InChI=1S/C14H23BN2O3.C14H20F3N3O2.C14H14F3N3O2.C14H14F3N3O.C9H6F3N3.C6H3BrF3N.ClH/c1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;2*1-13(2,3)22-12(21)20-11(5-7-19-20)10-8-9(4-6-18-10)14(15,16)17;15-14(16,17)10-4-6-18-11(9-10)12-5-7-19-20(12)13-3-1-2-8-21-13;10-9(11,12)6-1-3-13-8(5-6)7-2-4-14-15-7;7-5-3-4(1-2-11-5)6(8,9)10;/h8-9,12H,5-7,10H2,1-4H3;5,7,9-10,18H,4,6,8H2,1-3H3;4-8H,1-3H3;4-7,9,13H,1-3,8H2;1-5H,(H,14,15);1-3H;1H/t;9-,10+;;;;;/m.1...../s1
• InChIKey: ZIGYBHNFAKYYNE-JPPCSMLCSA-N
• XLogP: 18.34
• TPSA: 253.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1683.66
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride?

The IUPAC name of 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride (CID 158180218) is 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride.

What is the SMILES notation for 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride?

The canonical SMILES for 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride is CC(C)(C)OC(=O)n1nccc1-c1cc(C(F)(F)F)ccn1.CC(C)(C)OC(=O)n1nccc1[C@@H]1C[C@H](C(F)(F)F)CCN1.CC1(C)OB(c2ccnn2C2CCCCO2)OC1(C)C.Cl.FC(F)(F)c1ccnc(-c2ccn[nH]2)c1.FC(F)(F)c1ccnc(-c2ccnn2C2CCCCO2)c1.FC(F)(F)c1ccnc(Br)c1.

What is the InChIKey of 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride?

The InChIKey is ZIGYBHNFAKYYNE-JPPCSMLCSA-N. The full InChI is InChI=1S/C14H23BN2O3.C14H20F3N3O2.C14H14F3N3O2.C14H14F3N3O.C9H6F3N3.C6H3BrF3N.ClH/c1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12;2*1-13(2,3)22-12(21)20-11(5-7-19-20)10-8-9(4-6-18-10)14(15,16)17;15-14(16,17)10-4-6-18-11(9-10)12-5-7-19-20(12)13-3-1-2-8-21-13;10-9(11,12)6-1-3-13-8(5-6)7-2-4-14-15-7;7-5-3-4(1-2-11-5)6(8,9)10;/h8-9,12H,5-7,10H2,1-4H3;5,7,9-10,18H,4,6,8H2,1-3H3;4-8H,1-3H3;4-7,9,13H,1-3,8H2;1-5H,(H,14,15);1-3H;1H/t;9-,10+;;;;;/m.1...../s1.

What are the key properties of 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride?

2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 1683.66 g/mol, XLogP of 18.34, 7 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 158180218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).