CID 87883645

C12H19BrNOSi — CID 87883645

IUPAC—
SMILESC[Si](C)OC(c1cccc(Br)n1)C(C)(C)C
InChIInChI=1S/C12H19BrNOSi/c1-12(2,3)11(15-16(4)5)9-7-6-8-10(13)14-9/h6-8,11H,1-5H3
InChIKeySBUIGGXIUQIVGV-UHFFFAOYSA-N
MW301.28 g/mol
LogP4.20
Rot. Bonds3

About CID 87883645

CID 87883645 (PubChem CID 87883645) has the molecular formula C12H19BrNOSi and a molecular weight of 301.28 g/mol.

Molecular Properties

Compound NameCID 87883645
PubChem CID87883645
Molecular FormulaC12H19BrNOSi
Molecular Weight301.28 g/mol
Exact Mass300.04
IUPAC Name—
SMILESC[Si](C)OC(c1cccc(Br)n1)C(C)(C)C
InChIInChI=1S/C12H19BrNOSi/c1-12(2,3)11(15-16(4)5)9-7-6-8-10(13)14-9/h6-8,11H,1-5H3
InChIKeySBUIGGXIUQIVGV-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 54.20
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of CID 87883645?
The IUPAC name of CID 87883645 (CID 87883645) is not available.
What is the SMILES notation for CID 87883645?
The canonical SMILES for CID 87883645 is C[Si](C)OC(c1cccc(Br)n1)C(C)(C)C.
What is the InChIKey of CID 87883645?
The InChIKey is SBUIGGXIUQIVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrNOSi/c1-12(2,3)11(15-16(4)5)9-7-6-8-10(13)14-9/h6-8,11H,1-5H3.
What are the key properties of CID 87883645?
CID 87883645 has a molecular weight of 301.28 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87883645 is sourced from PubChem (CID 87883645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).