(5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane

C15H22BrClN2OSi — CID 147425295

IUPAC(5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane
SMILESCn1nc2ccc(Br)c(Cl)c2c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H22BrClN2OSi/c1-15(2,3)21(5,6)20-9-12-13-11(18-19(12)4)8-7-10(16)14(13)17/h7-8H,9H2,1-6H3
InChIKeyDTGVHNICYCQQBO-UHFFFAOYSA-N
MW389.80 g/mol
LogP5.51
Rot. Bonds3

About (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane

(5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 147425295) has the molecular formula C15H22BrClN2OSi and a molecular weight of 389.80 g/mol. Its IUPAC name is (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID147425295
Molecular FormulaC15H22BrClN2OSi
Molecular Weight389.80 g/mol
Exact Mass388.04
IUPAC Name(5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane
SMILESCn1nc2ccc(Br)c(Cl)c2c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H22BrClN2OSi/c1-15(2,3)21(5,6)20-9-12-13-11(18-19(12)4)8-7-10(16)14(13)17/h7-8H,9H2,1-6H3
InChIKeyDTGVHNICYCQQBO-UHFFFAOYSA-N
XLogP5.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.80
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 71282104
CID 71282104
CID 83383730
CID 83383730
CID 146307932
CID 146307932
CID 152020327
CID 152020327
CID 155673197
CID 155673197
CID 155673222
CID 155673222
CID 156673990
CID 156673990
CID 156674016
CID 156674016
CID 156725310
CID 156725310
CID 157812519
CID 157812519
CID 160460670
CID 160460670
CID 161830431
CID 161830431

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane (CID 147425295) is (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane is Cn1nc2ccc(Br)c(Cl)c2c1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is DTGVHNICYCQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2OSi/c1-15(2,3)21(5,6)20-9-12-13-11(18-19(12)4)8-7-10(16)14(13)17/h7-8H,9H2,1-6H3.
What are the key properties of (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane?
(5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 389.80 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chloro-2-methylindazol-3-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 147425295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).