CID 174014281

C6H3B2Cl — CID 174014281

IUPAC—
SMILES[B]c1cc([B])cc(Cl)c1
InChIInChI=1S/C6H3B2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKeyMELAMXJIYCXRNF-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.07
Rot. Bonds

About CID 174014281

CID 174014281 (PubChem CID 174014281) has the molecular formula C6H3B2Cl and a molecular weight of 132.17 g/mol.

Molecular Properties

Compound NameCID 174014281
PubChem CID174014281
Molecular FormulaC6H3B2Cl
Molecular Weight132.17 g/mol
Exact Mass132.01
IUPAC Name—
SMILES[B]c1cc([B])cc(Cl)c1
InChIInChI=1S/C6H3B2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKeyMELAMXJIYCXRNF-UHFFFAOYSA-N
XLogP-0.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 174014281 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 174014281?
The IUPAC name of CID 174014281 (CID 174014281) is not available.
What is the SMILES notation for CID 174014281?
The canonical SMILES for CID 174014281 is [B]c1cc([B])cc(Cl)c1.
What is the InChIKey of CID 174014281?
The InChIKey is MELAMXJIYCXRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3B2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H.
What are the key properties of CID 174014281?
CID 174014281 has a molecular weight of 132.17 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174014281 is sourced from PubChem (CID 174014281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).