CID 89241048

C5H2BBrIN — CID 89241048

IUPAC—
SMILES[B]c1cnc(Br)cc1I
InChIInChI=1S/C5H2BBrIN/c6-3-2-9-5(7)1-4(3)8/h1-2H
InChIKeyHRUNKCIDUIRVNT-UHFFFAOYSA-N
MW293.70 g/mol
LogP1.24
Rot. Bonds

About CID 89241048

CID 89241048 (PubChem CID 89241048) has the molecular formula C5H2BBrIN and a molecular weight of 293.70 g/mol.

Molecular Properties

Compound NameCID 89241048
PubChem CID89241048
Molecular FormulaC5H2BBrIN
Molecular Weight293.70 g/mol
Exact Mass292.85
IUPAC Name—
SMILES[B]c1cnc(Br)cc1I
InChIInChI=1S/C5H2BBrIN/c6-3-2-9-5(7)1-4(3)8/h1-2H
InChIKeyHRUNKCIDUIRVNT-UHFFFAOYSA-N
XLogP1.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89241048?
The IUPAC name of CID 89241048 (CID 89241048) is not available.
What is the SMILES notation for CID 89241048?
The canonical SMILES for CID 89241048 is [B]c1cnc(Br)cc1I.
What is the InChIKey of CID 89241048?
The InChIKey is HRUNKCIDUIRVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BBrIN/c6-3-2-9-5(7)1-4(3)8/h1-2H.
What are the key properties of CID 89241048?
CID 89241048 has a molecular weight of 293.70 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89241048 is sourced from PubChem (CID 89241048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).