CID 89292002

C14H8BBr — CID 89292002

IUPAC—
SMILES[B]c1cccc(C#Cc2cccc(Br)c2)c1
InChIInChI=1S/C14H8BBr/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-6,9-10H
InChIKeyYCXZLSFAPOSLGQ-UHFFFAOYSA-N
MW266.93 g/mol
LogP2.64
Rot. Bonds

About CID 89292002

CID 89292002 (PubChem CID 89292002) has the molecular formula C14H8BBr and a molecular weight of 266.93 g/mol.

Molecular Properties

Compound NameCID 89292002
PubChem CID89292002
Molecular FormulaC14H8BBr
Molecular Weight266.93 g/mol
Exact Mass265.99
IUPAC Name—
SMILES[B]c1cccc(C#Cc2cccc(Br)c2)c1
InChIInChI=1S/C14H8BBr/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-6,9-10H
InChIKeyYCXZLSFAPOSLGQ-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.93
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89292002?
The IUPAC name of CID 89292002 (CID 89292002) is not available.
What is the SMILES notation for CID 89292002?
The canonical SMILES for CID 89292002 is [B]c1cccc(C#Cc2cccc(Br)c2)c1.
What is the InChIKey of CID 89292002?
The InChIKey is YCXZLSFAPOSLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BBr/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-6,9-10H.
What are the key properties of CID 89292002?
CID 89292002 has a molecular weight of 266.93 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89292002 is sourced from PubChem (CID 89292002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).