3-N-chloroacridine-3,6-diamine

C13H10ClN3 — CID 89256512

IUPAC3-N-chloroacridine-3,6-diamine
SMILESNc1ccc2cc3ccc(NCl)cc3nc2c1
InChIInChI=1S/C13H10ClN3/c14-17-11-4-2-9-5-8-1-3-10(15)6-12(8)16-13(9)7-11/h1-7,17H,15H2
InChIKeyBRAOHGVABBGHIP-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.54
Rot. Bonds1

About 3-N-chloroacridine-3,6-diamine

3-N-chloroacridine-3,6-diamine (PubChem CID 89256512) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 3-N-chloroacridine-3,6-diamine.

Molecular Properties

Compound Name3-N-chloroacridine-3,6-diamine
PubChem CID89256512
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name3-N-chloroacridine-3,6-diamine
SMILESNc1ccc2cc3ccc(NCl)cc3nc2c1
InChIInChI=1S/C13H10ClN3/c14-17-11-4-2-9-5-8-1-3-10(15)6-12(8)16-13(9)7-11/h1-7,17H,15H2
InChIKeyBRAOHGVABBGHIP-UHFFFAOYSA-N
XLogP3.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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 3-N-chloroacridine-3,6-diamine?
The IUPAC name of 3-N-chloroacridine-3,6-diamine (CID 89256512) is 3-N-chloroacridine-3,6-diamine.
What is the SMILES notation for 3-N-chloroacridine-3,6-diamine?
The canonical SMILES for 3-N-chloroacridine-3,6-diamine is Nc1ccc2cc3ccc(NCl)cc3nc2c1.
What is the InChIKey of 3-N-chloroacridine-3,6-diamine?
The InChIKey is BRAOHGVABBGHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c14-17-11-4-2-9-5-8-1-3-10(15)6-12(8)16-13(9)7-11/h1-7,17H,15H2.
What are the key properties of 3-N-chloroacridine-3,6-diamine?
3-N-chloroacridine-3,6-diamine has a molecular weight of 243.70 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-chloroacridine-3,6-diamine is sourced from PubChem (CID 89256512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).