CID 88651260

C6H5Cl2N — CID 88651260

IUPAC—
SMILESClNCl.c1cc2ccc1-2
InChIInChI=1S/C6H4.Cl2HN/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H
InChIKeyUKYDWKVJWYWCQR-UHFFFAOYSA-N
MW162.02 g/mol
LogP2.55
Rot. Bonds

About CID 88651260

CID 88651260 (PubChem CID 88651260) has the molecular formula C6H5Cl2N and a molecular weight of 162.02 g/mol.

Molecular Properties

Compound NameCID 88651260
PubChem CID88651260
Molecular FormulaC6H5Cl2N
Molecular Weight162.02 g/mol
Exact Mass160.98
IUPAC Name—
SMILESClNCl.c1cc2ccc1-2
InChIInChI=1S/C6H4.Cl2HN/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H
InChIKeyUKYDWKVJWYWCQR-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.02
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 88651260 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 88651260?
The IUPAC name of CID 88651260 (CID 88651260) is not available.
What is the SMILES notation for CID 88651260?
The canonical SMILES for CID 88651260 is ClNCl.c1cc2ccc1-2.
What is the InChIKey of CID 88651260?
The InChIKey is UKYDWKVJWYWCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.Cl2HN/c1-2-6-4-3-5(1)6;1-3-2/h1-4H;3H.
What are the key properties of CID 88651260?
CID 88651260 has a molecular weight of 162.02 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88651260 is sourced from PubChem (CID 88651260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).