CID 89203110

C6H5BClN — CID 89203110

IUPAC—
SMILES[B]c1ccc(N)c(Cl)c1
InChIInChI=1S/C6H5BClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKeyDUECGSQDXFYEBP-UHFFFAOYSA-N
MW137.38 g/mol
LogP0.72
Rot. Bonds

About CID 89203110

CID 89203110 (PubChem CID 89203110) has the molecular formula C6H5BClN and a molecular weight of 137.38 g/mol.

Molecular Properties

Compound NameCID 89203110
PubChem CID89203110
Molecular FormulaC6H5BClN
Molecular Weight137.38 g/mol
Exact Mass137.02
IUPAC Name—
SMILES[B]c1ccc(N)c(Cl)c1
InChIInChI=1S/C6H5BClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKeyDUECGSQDXFYEBP-UHFFFAOYSA-N
XLogP0.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 89203110 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 89203110?
The IUPAC name of CID 89203110 (CID 89203110) is not available.
What is the SMILES notation for CID 89203110?
The canonical SMILES for CID 89203110 is [B]c1ccc(N)c(Cl)c1.
What is the InChIKey of CID 89203110?
The InChIKey is DUECGSQDXFYEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2.
What are the key properties of CID 89203110?
CID 89203110 has a molecular weight of 137.38 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89203110 is sourced from PubChem (CID 89203110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).