4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C119H139B3Br3Cl4F7N18O17 — CID 165075080

About 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 165075080) has the molecular formula C119H139B3Br3Cl4F7N18O17 and a molecular weight of 2640.48 g/mol. Its IUPAC name is 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 165075080
• Molecular Formula: C119H139B3Br3Cl4F7N18O17
• Molecular Weight: 2640.48 g/mol
• Exact Mass: 2634.70
• IUPAC Name: 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(C(F)F)c4)nc(N4CCOCC4)c3)c2)C1.COC(=O)c1cc(Br)ccn1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.FC(F)c1cc(-c2cc(Cl)cc(N3CCOCC3)n2)ccn1.O=Cc1cc(-c2cc(Cl)cc(N3CCOCC3)n2)ccn1.O=Cc1cc(Br)ccn1.OCc1cc(Br)ccn1
• InChI: InChI=1S/C29H33F2N5O2.C20H28BF3N2O3.C15H14ClF2N3O.C15H14ClN3O2.C12H24B2O4.C9H10Cl2N2O.C7H6BrNO2.C6H6BrNO.C6H4BrNO/c1-3-20-7-9-36(18-20)29(37)33-23-5-4-19(2)24(17-23)22-15-25(21-6-8-32-26(14-21)28(30)31)34-27(16-22)35-10-12-38-13-11-35;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;16-11-8-12(10-1-2-19-13(7-10)15(17)18)20-14(9-11)21-3-5-22-6-4-21;16-12-8-14(11-1-2-17-13(7-11)10-20)18-15(9-12)19-3-5-21-6-4-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-11-7(10)6-4-5(8)2-3-9-6;2*7-5-1-2-8-6(3-5)4-9/h4-6,8,14-17,20,28H,3,7,9-13,18H2,1-2H3,(H,33,37);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);1-2,7-9,15H,3-6H2;1-2,7-10H,3-6H2;1-8H3;5-6H,1-4H2;2-4H,1H3;1-3,9H,4H2;1-4H/t20-;14-;;;;;;;/m10......./s1
• InChIKey: UEBUFBTWYRASBC-OCBUXLLISA-N
• XLogP: 25.37
• TPSA: 379.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2640.48
LogP ≤ 5	25.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 165075080) is 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(-c4ccnc(C(F)F)c4)nc(N4CCOCC4)c3)c2)C1.COC(=O)c1cc(Br)ccn1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.FC(F)c1cc(-c2cc(Cl)cc(N3CCOCC3)n2)ccn1.O=Cc1cc(-c2cc(Cl)cc(N3CCOCC3)n2)ccn1.O=Cc1cc(Br)ccn1.OCc1cc(Br)ccn1.

What is the InChIKey of 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is UEBUFBTWYRASBC-OCBUXLLISA-N. The full InChI is InChI=1S/C29H33F2N5O2.C20H28BF3N2O3.C15H14ClF2N3O.C15H14ClN3O2.C12H24B2O4.C9H10Cl2N2O.C7H6BrNO2.C6H6BrNO.C6H4BrNO/c1-3-20-7-9-36(18-20)29(37)33-23-5-4-19(2)24(17-23)22-15-25(21-6-8-32-26(14-21)28(30)31)34-27(16-22)35-10-12-38-13-11-35;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;16-11-8-12(10-1-2-19-13(7-10)15(17)18)20-14(9-11)21-3-5-22-6-4-21;16-12-8-14(11-1-2-17-13(7-11)10-20)18-15(9-12)19-3-5-21-6-4-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13;1-11-7(10)6-4-5(8)2-3-9-6;2*7-5-1-2-8-6(3-5)4-9/h4-6,8,14-17,20,28H,3,7,9-13,18H2,1-2H3,(H,33,37);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);1-2,7-9,15H,3-6H2;1-2,7-10H,3-6H2;1-8H3;5-6H,1-4H2;2-4H,1H3;1-3,9H,4H2;1-4H/t20-;14-;;;;;;;/m10......./s1.

What are the key properties of 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2640.48 g/mol, XLogP of 25.37, 20 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromopyridine-2-carbaldehyde;(4-bromo-2-pyridinyl)methanol;4-[4-chloro-6-[2-(difluoromethyl)-4-pyridinyl]-2-pyridinyl]morpholine;4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyridine-2-carbaldehyde;4-(4,6-dichloro-2-pyridinyl)morpholine;(3R)-N-[3-[2-[2-(difluoromethyl)-4-pyridinyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;methyl 4-bromopyridine-2-carboxylate;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 165075080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).