(2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol

C16H28BrNO2Si — CID 69166037

IUPAC(2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
SMILESCCC(O)(c1ccc(Br)cn1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28BrNO2Si/c1-8-16(19,14-10-9-13(17)11-18-14)12(2)20-21(6,7)15(3,4)5/h9-12,19H,8H2,1-7H3/t12-,16?/m0/s1
InChIKeyZCULQIXSFPKEFN-HKALDPMFSA-N
MW374.40 g/mol
LogP4.85
Rot. Bonds5

About (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol

(2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol (PubChem CID 69166037) has the molecular formula C16H28BrNO2Si and a molecular weight of 374.40 g/mol. Its IUPAC name is (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol.

Molecular Properties

Compound Name(2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
PubChem CID69166037
Molecular FormulaC16H28BrNO2Si
Molecular Weight374.40 g/mol
Exact Mass373.11
IUPAC Name(2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
SMILESCCC(O)(c1ccc(Br)cn1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28BrNO2Si/c1-8-16(19,14-10-9-13(17)11-18-14)12(2)20-21(6,7)15(3,4)5/h9-12,19H,8H2,1-7H3/t12-,16?/m0/s1
InChIKeyZCULQIXSFPKEFN-HKALDPMFSA-N
XLogP4.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol?
The IUPAC name of (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol (CID 69166037) is (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol.
What is the SMILES notation for (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol?
The canonical SMILES for (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol is CCC(O)(c1ccc(Br)cn1)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol?
The InChIKey is ZCULQIXSFPKEFN-HKALDPMFSA-N. The full InChI is InChI=1S/C16H28BrNO2Si/c1-8-16(19,14-10-9-13(17)11-18-14)12(2)20-21(6,7)15(3,4)5/h9-12,19H,8H2,1-7H3/t12-,16?/m0/s1.
What are the key properties of (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol?
(2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol has a molecular weight of 374.40 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-bromo-2-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol is sourced from PubChem (CID 69166037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).