CID 91156707

C10H9Br2O+ — CID 91156707

IUPAC—
SMILES[CH2+]c1c(CBr)ccc(CBr)c1C=O
InChIInChI=1S/C10H9Br2O/c1-7-8(4-11)2-3-9(5-12)10(7)6-13/h2-3,6H,1,4-5H2/q+1
InChIKeyXOQFVGSJSBDVSH-UHFFFAOYSA-N
MW304.99 g/mol
LogP3.47
Rot. Bonds3

About CID 91156707

CID 91156707 (PubChem CID 91156707) has the molecular formula C10H9Br2O+ and a molecular weight of 304.99 g/mol.

Molecular Properties

Compound NameCID 91156707
PubChem CID91156707
Molecular FormulaC10H9Br2O+
Molecular Weight304.99 g/mol
Exact Mass302.90
IUPAC Name—
SMILES[CH2+]c1c(CBr)ccc(CBr)c1C=O
InChIInChI=1S/C10H9Br2O/c1-7-8(4-11)2-3-9(5-12)10(7)6-13/h2-3,6H,1,4-5H2/q+1
InChIKeyXOQFVGSJSBDVSH-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.99
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze CID 91156707 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 91156707?
The IUPAC name of CID 91156707 (CID 91156707) is not available.
What is the SMILES notation for CID 91156707?
The canonical SMILES for CID 91156707 is [CH2+]c1c(CBr)ccc(CBr)c1C=O.
What is the InChIKey of CID 91156707?
The InChIKey is XOQFVGSJSBDVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2O/c1-7-8(4-11)2-3-9(5-12)10(7)6-13/h2-3,6H,1,4-5H2/q+1.
What are the key properties of CID 91156707?
CID 91156707 has a molecular weight of 304.99 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91156707 is sourced from PubChem (CID 91156707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).