CID 89070207

C8H4BClN2 — CID 89070207

IUPAC—
SMILES[B]c1ccc2nc(Cl)ncc2c1
InChIInChI=1S/C8H4BClN2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
InChIKeyFBTSHVUHFQKAOW-UHFFFAOYSA-N
MW174.40 g/mol
LogP1.08
Rot. Bonds

About CID 89070207

CID 89070207 (PubChem CID 89070207) has the molecular formula C8H4BClN2 and a molecular weight of 174.40 g/mol.

Molecular Properties

Compound NameCID 89070207
PubChem CID89070207
Molecular FormulaC8H4BClN2
Molecular Weight174.40 g/mol
Exact Mass174.02
IUPAC Name—
SMILES[B]c1ccc2nc(Cl)ncc2c1
InChIInChI=1S/C8H4BClN2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
InChIKeyFBTSHVUHFQKAOW-UHFFFAOYSA-N
XLogP1.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.40
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 89070207 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 89070207?
The IUPAC name of CID 89070207 (CID 89070207) is not available.
What is the SMILES notation for CID 89070207?
The canonical SMILES for CID 89070207 is [B]c1ccc2nc(Cl)ncc2c1.
What is the InChIKey of CID 89070207?
The InChIKey is FBTSHVUHFQKAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BClN2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H.
What are the key properties of CID 89070207?
CID 89070207 has a molecular weight of 174.40 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89070207 is sourced from PubChem (CID 89070207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).