5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid

C101H121B2BrCl2N14O13 — CID 159061502

IUPAC5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid
SMILESC.C.C.CC(C)(C)OC(=O)N1CCC(CO)CC1.Cc1[nH]nc2ccc(-c3cc(O)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(O)cnc3Cl)cc12.Cc1[nH]nc2ccc(-c3cc(OCC4CCN(C(=O)OC(C)(C)C)CC4)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.OB(O)c1ccccc1.Oc1cnc(Cl)c(Br)c1
InChIInChI=1S/C30H34N4O3.C19H15N3O.C14H19BN2O2.C13H10ClN3O.C11H21NO3.C6H7BO2.C5H3BrClNO.3CH4/c1-20-25-16-23(10-11-27(25)33-32-20)26-17-24(18-31-28(26)22-8-6-5-7-9-22)36-19-21-12-14-34(15-13-21)29(35)37-30(2,3)4;1-12-16-9-14(7-8-18(16)22-21-12)17-10-15(23)11-20-19(17)13-5-3-2-4-6-13;1-9-11-8-10(6-7-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15;1-7-10-4-8(2-3-12(10)17-16-7)11-5-9(18)6-15-13(11)14;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;8-7(9)6-4-2-1-3-5-6;6-4-1-3(9)2-8-5(4)7;;;/h5-11,16-18,21H,12-15,19H2,1-4H3,(H,32,33);2-11,23H,1H3,(H,21,22);6-8H,1-5H3,(H,16,17);2-6,18H,1H3,(H,16,17);9,13H,4-8H2,1-3H3;1-5,8-9H;1-2,9H;3*1H4
InChIKeyJYNIGVJOGKHRPH-UHFFFAOYSA-N
MW1911.60 g/mol
LogP21.50
Rot. Bonds11

About 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid

5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid (PubChem CID 159061502) has the molecular formula C101H121B2BrCl2N14O13 and a molecular weight of 1911.60 g/mol. Its IUPAC name is 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid.

Molecular Properties

Compound Name5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid
PubChem CID159061502
Molecular FormulaC101H121B2BrCl2N14O13
Molecular Weight1911.60 g/mol
Exact Mass1908.80
IUPAC Name5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid
SMILESC.C.C.CC(C)(C)OC(=O)N1CCC(CO)CC1.Cc1[nH]nc2ccc(-c3cc(O)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(O)cnc3Cl)cc12.Cc1[nH]nc2ccc(-c3cc(OCC4CCN(C(=O)OC(C)(C)C)CC4)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.OB(O)c1ccccc1.Oc1cnc(Cl)c(Br)c1
InChIInChI=1S/C30H34N4O3.C19H15N3O.C14H19BN2O2.C13H10ClN3O.C11H21NO3.C6H7BO2.C5H3BrClNO.3CH4/c1-20-25-16-23(10-11-27(25)33-32-20)26-17-24(18-31-28(26)22-8-6-5-7-9-22)36-19-21-12-14-34(15-13-21)29(35)37-30(2,3)4;1-12-16-9-14(7-8-18(16)22-21-12)17-10-15(23)11-20-19(17)13-5-3-2-4-6-13;1-9-11-8-10(6-7-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15;1-7-10-4-8(2-3-12(10)17-16-7)11-5-9(18)6-15-13(11)14;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;8-7(9)6-4-2-1-3-5-6;6-4-1-3(9)2-8-5(4)7;;;/h5-11,16-18,21H,12-15,19H2,1-4H3,(H,32,33);2-11,23H,1H3,(H,21,22);6-8H,1-5H3,(H,16,17);2-6,18H,1H3,(H,16,17);9,13H,4-8H2,1-3H3;1-5,8-9H;1-2,9H;3*1H4
InChIKeyJYNIGVJOGKHRPH-UHFFFAOYSA-N
XLogP21.50
TPSA374.43 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001911.60
LogP ≤ 521.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid with MolForge

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Related Compounds

5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 159038301
CID 157157046
CID 157157046
5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 157188258
5-bromo-3-(6-chloropyrazin-2-yl)-1-(oxan-2-yl)indazole;tert-butyl 3-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;tert-butyl 3-[6-[5-(5-methoxy-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxypiperidine-1-carboxylate;cyclohexanol;5-(5-methoxy-3-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157349167
CID 157769121
CID 157769121
CID 158217688
CID 158217688
CID 159042094
CID 159042094
CID 159805588
CID 159805588
benzyl N-[(2S)-1-[[6-benzyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;(2S)-1-[[6-benzyl-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine;bromozinc(1+);tert-butyl 5-[2-chloro-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropoxy]-3-pyridinyl]-3-methylindazole-1-carboxylate;ethanol;methane;methanidylbenzene;palladium;tetrakis(triphenylphosphane)
CID 160057313
CID 160497352
CID 160497352
CID 160507758
CID 160507758
tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]pent-4-yn-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]pent-4-yn-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]pent-4-yn-2-yl]carbamate;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]pent-4-yn-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid
CID 160896314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid?
The IUPAC name of 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid (CID 159061502) is 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid.
What is the SMILES notation for 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid?
The canonical SMILES for 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid is C.C.C.CC(C)(C)OC(=O)N1CCC(CO)CC1.Cc1[nH]nc2ccc(-c3cc(O)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3cc(O)cnc3Cl)cc12.Cc1[nH]nc2ccc(-c3cc(OCC4CCN(C(=O)OC(C)(C)C)CC4)cnc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.OB(O)c1ccccc1.Oc1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid?
The InChIKey is JYNIGVJOGKHRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3.C19H15N3O.C14H19BN2O2.C13H10ClN3O.C11H21NO3.C6H7BO2.C5H3BrClNO.3CH4/c1-20-25-16-23(10-11-27(25)33-32-20)26-17-24(18-31-28(26)22-8-6-5-7-9-22)36-19-21-12-14-34(15-13-21)29(35)37-30(2,3)4;1-12-16-9-14(7-8-18(16)22-21-12)17-10-15(23)11-20-19(17)13-5-3-2-4-6-13;1-9-11-8-10(6-7-12(11)17-16-9)15-18-13(2,3)14(4,5)19-15;1-7-10-4-8(2-3-12(10)17-16-7)11-5-9(18)6-15-13(11)14;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;8-7(9)6-4-2-1-3-5-6;6-4-1-3(9)2-8-5(4)7;;;/h5-11,16-18,21H,12-15,19H2,1-4H3,(H,32,33);2-11,23H,1H3,(H,21,22);6-8H,1-5H3,(H,16,17);2-6,18H,1H3,(H,16,17);9,13H,4-8H2,1-3H3;1-5,8-9H;1-2,9H;3*1H4.
What are the key properties of 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid?
5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid has a molecular weight of 1911.60 g/mol, XLogP of 21.50, 11 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid is sourced from PubChem (CID 159061502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).