2,9-dichlorobenzo[c]cinnoline

C12H6Cl2N2 — CID 21332696

IUPAC2,9-dichlorobenzo[c]cinnoline
SMILESClc1ccc2nnc3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H6Cl2N2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)16-15-11/h1-6H
InChIKeyKVQNVQCRQIYKKQ-UHFFFAOYSA-N
MW249.10 g/mol
LogP4.09
Rot. Bonds

About 2,9-dichlorobenzo[c]cinnoline

2,9-dichlorobenzo[c]cinnoline (PubChem CID 21332696) has the molecular formula C12H6Cl2N2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2,9-dichlorobenzo[c]cinnoline.

Molecular Properties

Compound Name2,9-dichlorobenzo[c]cinnoline
PubChem CID21332696
Molecular FormulaC12H6Cl2N2
Molecular Weight249.10 g/mol
Exact Mass247.99
IUPAC Name2,9-dichlorobenzo[c]cinnoline
SMILESClc1ccc2nnc3ccc(Cl)cc3c2c1
InChIInChI=1S/C12H6Cl2N2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)16-15-11/h1-6H
InChIKeyKVQNVQCRQIYKKQ-UHFFFAOYSA-N
XLogP4.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,9-dichlorobenzo[c]cinnoline?
The IUPAC name of 2,9-dichlorobenzo[c]cinnoline (CID 21332696) is 2,9-dichlorobenzo[c]cinnoline.
What is the SMILES notation for 2,9-dichlorobenzo[c]cinnoline?
The canonical SMILES for 2,9-dichlorobenzo[c]cinnoline is Clc1ccc2nnc3ccc(Cl)cc3c2c1.
What is the InChIKey of 2,9-dichlorobenzo[c]cinnoline?
The InChIKey is KVQNVQCRQIYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)16-15-11/h1-6H.
What are the key properties of 2,9-dichlorobenzo[c]cinnoline?
2,9-dichlorobenzo[c]cinnoline has a molecular weight of 249.10 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dichlorobenzo[c]cinnoline is sourced from PubChem (CID 21332696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).