[3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane

C34H36Br2N4O2Si — CID 157491376

IUPAC[3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)c1.OCc1cccc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C20H25BrN2OSi.C14H11BrN2O/c1-20(2,3)25(4,5)24-14-15-7-6-8-18(11-15)23-19-12-17(21)10-9-16(19)13-22-23;15-12-5-4-11-8-16-17(14(11)7-12)13-3-1-2-10(6-13)9-18/h6-13H,14H2,1-5H3;1-8,18H,9H2
InChIKeyBXHVPVWVEITOJP-UHFFFAOYSA-N
MW720.58 g/mol
LogP9.59
Rot. Bonds6

About [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane

[3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 157491376) has the molecular formula C34H36Br2N4O2Si and a molecular weight of 720.58 g/mol. Its IUPAC name is [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane
PubChem CID157491376
Molecular FormulaC34H36Br2N4O2Si
Molecular Weight720.58 g/mol
Exact Mass718.10
IUPAC Name[3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)c1.OCc1cccc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C20H25BrN2OSi.C14H11BrN2O/c1-20(2,3)25(4,5)24-14-15-7-6-8-18(11-15)23-19-12-17(21)10-9-16(19)13-22-23;15-12-5-4-11-8-16-17(14(11)7-12)13-3-1-2-10(6-13)9-18/h6-13H,14H2,1-5H3;1-8,18H,9H2
InChIKeyBXHVPVWVEITOJP-UHFFFAOYSA-N
XLogP9.59
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.58
LogP ≤ 59.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(6-Bromo-1h-indazol-1-yl)benzenemethanol
CID 118664046
6-Bromo-1-[3-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]phenyl]-1h-indazole
CID 140798373
[6-bromo-1-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]indazol-3-yl]methanol
CID 151753538
[3-(6-Bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157177450
[3-(6-bromoindazol-1-yl)phenyl]methanol;6-bromo-1H-isoindole;(3-bromophenyl)methanol
CID 157890793
[6-(6-Bromoindazol-1-yl)-2-pyridinyl]methanol;[6-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
CID 158203801
[4-(6-Bromoindazol-1-yl)-2-pyridinyl]methanol;[4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
CID 160023228
[1-(2-Bromophenyl)-5-(1-ethylindazol-6-yl)pyrazol-3-yl]methanol
CID 171771699
[1-(2-Bromophenyl)-5-(1-propylindazol-6-yl)pyrazol-3-yl]methanol
CID 171771701
[6-Bromo-1-[3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]indazol-3-yl]methanol
CID 173867244
(4-Bromo-2-indazol-1-ylphenyl)methanol
CID 62139618

Frequently Asked Questions

What is the IUPAC name of [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane (CID 157491376) is [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc(-n2ncc3ccc(Br)cc32)c1.OCc1cccc(-n2ncc3ccc(Br)cc32)c1.
What is the InChIKey of [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is BXHVPVWVEITOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2OSi.C14H11BrN2O/c1-20(2,3)25(4,5)24-14-15-7-6-8-18(11-15)23-19-12-17(21)10-9-16(19)13-22-23;15-12-5-4-11-8-16-17(14(11)7-12)13-3-1-2-10(6-13)9-18/h6-13H,14H2,1-5H3;1-8,18H,9H2.
What are the key properties of [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane?
[3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 720.58 g/mol, XLogP of 9.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-bromoindazol-1-yl)phenyl]methanol;[3-(6-bromoindazol-1-yl)phenyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 157491376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).