CID 89151779

C11H8BBrO2 — CID 89151779

IUPAC—
SMILES[B]c1c(Br)c2c(c3c1OCC3)C(=O)CC2
InChIInChI=1S/C11H8BBrO2/c12-9-10(13)5-1-2-7(14)8(5)6-3-4-15-11(6)9/h1-4H2
InChIKeyWQKUYQYZCXSBDG-UHFFFAOYSA-N
MW262.90 g/mol
LogP1.31
Rot. Bonds

About CID 89151779

CID 89151779 (PubChem CID 89151779) has the molecular formula C11H8BBrO2 and a molecular weight of 262.90 g/mol.

Molecular Properties

Compound NameCID 89151779
PubChem CID89151779
Molecular FormulaC11H8BBrO2
Molecular Weight262.90 g/mol
Exact Mass261.98
IUPAC Name—
SMILES[B]c1c(Br)c2c(c3c1OCC3)C(=O)CC2
InChIInChI=1S/C11H8BBrO2/c12-9-10(13)5-1-2-7(14)8(5)6-3-4-15-11(6)9/h1-4H2
InChIKeyWQKUYQYZCXSBDG-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.90
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 89151779?
The IUPAC name of CID 89151779 (CID 89151779) is not available.
What is the SMILES notation for CID 89151779?
The canonical SMILES for CID 89151779 is [B]c1c(Br)c2c(c3c1OCC3)C(=O)CC2.
What is the InChIKey of CID 89151779?
The InChIKey is WQKUYQYZCXSBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BBrO2/c12-9-10(13)5-1-2-7(14)8(5)6-3-4-15-11(6)9/h1-4H2.
What are the key properties of CID 89151779?
CID 89151779 has a molecular weight of 262.90 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89151779 is sourced from PubChem (CID 89151779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).