2-(chloromethyl)acridine

C14H10ClN — CID 133055095

IUPAC2-(chloromethyl)acridine
SMILESClCc1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C14H10ClN/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)16-14/h1-8H,9H2
InChIKeyZGDKZEZKVWNZDE-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.13
Rot. Bonds1

About 2-(chloromethyl)acridine

2-(chloromethyl)acridine (PubChem CID 133055095) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(chloromethyl)acridine.

Molecular Properties

Compound Name2-(chloromethyl)acridine
PubChem CID133055095
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name2-(chloromethyl)acridine
SMILESClCc1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C14H10ClN/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)16-14/h1-8H,9H2
InChIKeyZGDKZEZKVWNZDE-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)acridine?
The IUPAC name of 2-(chloromethyl)acridine (CID 133055095) is 2-(chloromethyl)acridine.
What is the SMILES notation for 2-(chloromethyl)acridine?
The canonical SMILES for 2-(chloromethyl)acridine is ClCc1ccc2nc3ccccc3cc2c1.
What is the InChIKey of 2-(chloromethyl)acridine?
The InChIKey is ZGDKZEZKVWNZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)16-14/h1-8H,9H2.
What are the key properties of 2-(chloromethyl)acridine?
2-(chloromethyl)acridine has a molecular weight of 227.69 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)acridine is sourced from PubChem (CID 133055095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).