2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane

C19H28Br2N2O2Si — CID 160502739

IUPAC2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane
SMILESC[Si](C)(C)O[13C]([13CH3])([13CH3])c1ccc(Br)cn1.[13CH3][13C]([13CH3])(O)c1ccc(Br)cn1
InChIInChI=1S/C11H18BrNOSi.C8H10BrNO/c1-11(2,14-15(3,4)5)10-7-6-9(12)8-13-10;1-8(2,11)7-4-3-6(9)5-10-7/h6-8H,1-5H3;3-5,11H,1-2H3/i1+1,2+1,11+1;1+1,2+1,8+1
InChIKeyQRZNYYMWUYBHJI-VQXDAHDYSA-N
MW510.29 g/mol
LogP6.00
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane

2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane (PubChem CID 160502739) has the molecular formula C19H28Br2N2O2Si and a molecular weight of 510.29 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane
PubChem CID160502739
Molecular FormulaC19H28Br2N2O2Si
Molecular Weight510.29 g/mol
Exact Mass508.05
IUPAC Name2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane
SMILESC[Si](C)(C)O[13C]([13CH3])([13CH3])c1ccc(Br)cn1.[13CH3][13C]([13CH3])(O)c1ccc(Br)cn1
InChIInChI=1S/C11H18BrNOSi.C8H10BrNO/c1-11(2,14-15(3,4)5)10-7-6-9(12)8-13-10;1-8(2,11)7-4-3-6(9)5-10-7/h6-8H,1-5H3;3-5,11H,1-2H3/i1+1,2+1,11+1;1+1,2+1,8+1
InChIKeyQRZNYYMWUYBHJI-VQXDAHDYSA-N
XLogP6.00
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.29
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane with MolForge

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Related Compounds

5-bromo-2-iodopyridine;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol
CID 159960956
5-bromo-2-(1,1-difluoroethyl)pyridine
CID 118395151
1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethane-1,1-diol
CID 71418868
1-(5-bromo-2-pyridinyl)-1-(4-methylcyclohexyl)ethanol
CID 90380506
bis(2-(5-chloro-2-pyridinyl)propan-2-ol);hydrochloride
CID 158478724
2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol
CID 155384095
2-(5-bromo-2-pyridinyl)-N-(5-bromo-1,3-thiazol-2-yl)-2-methylpropanamide
CID 166329305
2-[5-[1-(propan-2-ylamino)ethyl]-2-pyridinyl]propan-2-ol
CID 177140197
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
ethyl 2-(5-bromo-2-pyridinyl)-2-cyanopropanoate
CID 104572258
1-(5-bromo-2-pyridinyl)-1-phenylethane-1,2-diol
CID 12026658
(5-bromo-2-pyridinyl)-(1-methylcyclopropyl)-pyrimidin-5-ylmethanol
CID 118463911

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane?
The IUPAC name of 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane (CID 160502739) is 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane is C[Si](C)(C)O[13C]([13CH3])([13CH3])c1ccc(Br)cn1.[13CH3][13C]([13CH3])(O)c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane?
The InChIKey is QRZNYYMWUYBHJI-VQXDAHDYSA-N. The full InChI is InChI=1S/C11H18BrNOSi.C8H10BrNO/c1-11(2,14-15(3,4)5)10-7-6-9(12)8-13-10;1-8(2,11)7-4-3-6(9)5-10-7/h6-8H,1-5H3;3-5,11H,1-2H3/i1+1,2+1,11+1;1+1,2+1,8+1.
What are the key properties of 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane?
2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane has a molecular weight of 510.29 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-ol;2-(5-bromo-2-pyridinyl)(1,2,3-13C3)propan-2-yloxy-trimethylsilane is sourced from PubChem (CID 160502739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).