7-chlorophenazin-2-amine

C12H8ClN3 — CID 615314

IUPAC7-chlorophenazin-2-amine
SMILESNc1ccc2nc3cc(Cl)ccc3nc2c1
InChIInChI=1S/C12H8ClN3/c13-7-1-3-9-11(5-7)15-10-4-2-8(14)6-12(10)16-9/h1-6H,14H2
InChIKeyHEXCEXCOYAICFZ-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.02
Rot. Bonds

About 7-chlorophenazin-2-amine

7-chlorophenazin-2-amine (PubChem CID 615314) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 7-chlorophenazin-2-amine.

Molecular Properties

Compound Name7-chlorophenazin-2-amine
PubChem CID615314
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name7-chlorophenazin-2-amine
SMILESNc1ccc2nc3cc(Cl)ccc3nc2c1
InChIInChI=1S/C12H8ClN3/c13-7-1-3-9-11(5-7)15-10-4-2-8(14)6-12(10)16-9/h1-6H,14H2
InChIKeyHEXCEXCOYAICFZ-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 7-chlorophenazin-2-amine?
The IUPAC name of 7-chlorophenazin-2-amine (CID 615314) is 7-chlorophenazin-2-amine.
What is the SMILES notation for 7-chlorophenazin-2-amine?
The canonical SMILES for 7-chlorophenazin-2-amine is Nc1ccc2nc3cc(Cl)ccc3nc2c1.
What is the InChIKey of 7-chlorophenazin-2-amine?
The InChIKey is HEXCEXCOYAICFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-7-1-3-9-11(5-7)15-10-4-2-8(14)6-12(10)16-9/h1-6H,14H2.
What are the key properties of 7-chlorophenazin-2-amine?
7-chlorophenazin-2-amine has a molecular weight of 229.67 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorophenazin-2-amine is sourced from PubChem (CID 615314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).