CID 89240574

C5H3BBr2O2 — CID 89240574

IUPAC—
SMILES[B]/C(Br)=C1/OC(=O)CC1Br
InChIInChI=1S/C5H3BBr2O2/c6-5(8)4-2(7)1-3(9)10-4/h2H,1H2/b5-4-
InChIKeyWMOYJWNUBDIFDG-PLNGDYQASA-N
MW265.70 g/mol
LogP1.43
Rot. Bonds

About CID 89240574

CID 89240574 (PubChem CID 89240574) has the molecular formula C5H3BBr2O2 and a molecular weight of 265.70 g/mol.

Molecular Properties

Compound NameCID 89240574
PubChem CID89240574
Molecular FormulaC5H3BBr2O2
Molecular Weight265.70 g/mol
Exact Mass263.86
IUPAC Name—
SMILES[B]/C(Br)=C1/OC(=O)CC1Br
InChIInChI=1S/C5H3BBr2O2/c6-5(8)4-2(7)1-3(9)10-4/h2H,1H2/b5-4-
InChIKeyWMOYJWNUBDIFDG-PLNGDYQASA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89240574?
The IUPAC name of CID 89240574 (CID 89240574) is not available.
What is the SMILES notation for CID 89240574?
The canonical SMILES for CID 89240574 is [B]/C(Br)=C1/OC(=O)CC1Br.
What is the InChIKey of CID 89240574?
The InChIKey is WMOYJWNUBDIFDG-PLNGDYQASA-N. The full InChI is InChI=1S/C5H3BBr2O2/c6-5(8)4-2(7)1-3(9)10-4/h2H,1H2/b5-4-.
What are the key properties of CID 89240574?
CID 89240574 has a molecular weight of 265.70 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89240574 is sourced from PubChem (CID 89240574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).