2,7-bis(chloromethyl)acridine

C15H11Cl2N — CID 132525566

IUPAC2,7-bis(chloromethyl)acridine
SMILESClCc1ccc2nc3ccc(CCl)cc3cc2c1
InChIInChI=1S/C15H11Cl2N/c16-8-10-1-3-14-12(5-10)7-13-6-11(9-17)2-4-15(13)18-14/h1-7H,8-9H2
InChIKeyJBTLWTNFPWIABP-UHFFFAOYSA-N
MW276.17 g/mol
LogP4.87
Rot. Bonds2

About 2,7-bis(chloromethyl)acridine

2,7-bis(chloromethyl)acridine (PubChem CID 132525566) has the molecular formula C15H11Cl2N and a molecular weight of 276.17 g/mol. Its IUPAC name is 2,7-bis(chloromethyl)acridine.

Molecular Properties

Compound Name2,7-bis(chloromethyl)acridine
PubChem CID132525566
Molecular FormulaC15H11Cl2N
Molecular Weight276.17 g/mol
Exact Mass275.03
IUPAC Name2,7-bis(chloromethyl)acridine
SMILESClCc1ccc2nc3ccc(CCl)cc3cc2c1
InChIInChI=1S/C15H11Cl2N/c16-8-10-1-3-14-12(5-10)7-13-6-11(9-17)2-4-15(13)18-14/h1-7H,8-9H2
InChIKeyJBTLWTNFPWIABP-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 54.87
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 2,7-bis(chloromethyl)acridine?
The IUPAC name of 2,7-bis(chloromethyl)acridine (CID 132525566) is 2,7-bis(chloromethyl)acridine.
What is the SMILES notation for 2,7-bis(chloromethyl)acridine?
The canonical SMILES for 2,7-bis(chloromethyl)acridine is ClCc1ccc2nc3ccc(CCl)cc3cc2c1.
What is the InChIKey of 2,7-bis(chloromethyl)acridine?
The InChIKey is JBTLWTNFPWIABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N/c16-8-10-1-3-14-12(5-10)7-13-6-11(9-17)2-4-15(13)18-14/h1-7H,8-9H2.
What are the key properties of 2,7-bis(chloromethyl)acridine?
2,7-bis(chloromethyl)acridine has a molecular weight of 276.17 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(chloromethyl)acridine is sourced from PubChem (CID 132525566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).