CID 174404159

C6H4ClI — CID 174404159

IUPAC—
SMILESClI.c1cc2cc-2c1
InChIInChI=1S/C6H4.ClI/c1-2-5-4-6(5)3-1;1-2/h1-4H;
InChIKeyAJVVGQZAWHOFMK-UHFFFAOYSA-N
MW238.46 g/mol
LogP3.24
Rot. Bonds

About CID 174404159

CID 174404159 (PubChem CID 174404159) has the molecular formula C6H4ClI and a molecular weight of 238.46 g/mol.

Molecular Properties

Compound NameCID 174404159
PubChem CID174404159
Molecular FormulaC6H4ClI
Molecular Weight238.46 g/mol
Exact Mass237.90
IUPAC Name—
SMILESClI.c1cc2cc-2c1
InChIInChI=1S/C6H4.ClI/c1-2-5-4-6(5)3-1;1-2/h1-4H;
InChIKeyAJVVGQZAWHOFMK-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174404159?
The IUPAC name of CID 174404159 (CID 174404159) is not available.
What is the SMILES notation for CID 174404159?
The canonical SMILES for CID 174404159 is ClI.c1cc2cc-2c1.
What is the InChIKey of CID 174404159?
The InChIKey is AJVVGQZAWHOFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.ClI/c1-2-5-4-6(5)3-1;1-2/h1-4H;.
What are the key properties of CID 174404159?
CID 174404159 has a molecular weight of 238.46 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174404159 is sourced from PubChem (CID 174404159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).