[4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane

C12H20ClNOSi — CID 89348103

IUPAC[4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane
SMILESCC(C)(CCc1ccc(Cl)nc1)[Si](C)(C)O
InChIInChI=1S/C12H20ClNOSi/c1-12(2,16(3,4)15)8-7-10-5-6-11(13)14-9-10/h5-6,9,15H,7-8H2,1-4H3
InChIKeyUUUJAYIGXFYNLW-UHFFFAOYSA-N
MW257.84 g/mol
LogP3.65
Rot. Bonds4

About [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane

[4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane (PubChem CID 89348103) has the molecular formula C12H20ClNOSi and a molecular weight of 257.84 g/mol. Its IUPAC name is [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane.

Molecular Properties

Compound Name[4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane
PubChem CID89348103
Molecular FormulaC12H20ClNOSi
Molecular Weight257.84 g/mol
Exact Mass257.10
IUPAC Name[4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane
SMILESCC(C)(CCc1ccc(Cl)nc1)[Si](C)(C)O
InChIInChI=1S/C12H20ClNOSi/c1-12(2,16(3,4)15)8-7-10-5-6-11(13)14-9-10/h5-6,9,15H,7-8H2,1-4H3
InChIKeyUUUJAYIGXFYNLW-UHFFFAOYSA-N
XLogP3.65
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Pentylpyridine
CID 238307
3-Hexylpyridine
CID 22766
2-Chloro-5-(1-methyl-2-pyrrolidinyl)pyridine
CID 10262111
2-Chloro-5-methyl-pyridine
CID 581393
2-(4'-Chlorobenzyl)pyridine
CID 78054
Pyridine, 4-decyl-
CID 13563860
2'-Chloro-N-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl
CID 45262543
4-(4'-Chlorobenzyl)pyridine
CID 78124
2-Chloro-3-methylpyridine
CID 87603
2-Chloro-5-phenylpyridine
CID 2762868
4-(4-Chlorostyryl)pyridine
CID 735607
(6-Chloro-3-pyridinyl)methyl-trimethylazanium
CID 9877853

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane?
The IUPAC name of [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane (CID 89348103) is [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane.
What is the SMILES notation for [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane?
The canonical SMILES for [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane is CC(C)(CCc1ccc(Cl)nc1)[Si](C)(C)O.
What is the InChIKey of [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane?
The InChIKey is UUUJAYIGXFYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOSi/c1-12(2,16(3,4)15)8-7-10-5-6-11(13)14-9-10/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane?
[4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane has a molecular weight of 257.84 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane is sourced from PubChem (CID 89348103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).