1-pyridin-2-ylphenazine

C17H11N3 — CID 57231896

IUPAC1-pyridin-2-ylphenazine
SMILESc1ccc(-c2cccc3nc4ccccc4nc23)nc1
InChIInChI=1S/C17H11N3/c1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13/h1-11H
InChIKeyVIFMQDORTLDOKA-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.85
Rot. Bonds1

About 1-pyridin-2-ylphenazine

1-pyridin-2-ylphenazine (PubChem CID 57231896) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-pyridin-2-ylphenazine.

Molecular Properties

Compound Name1-pyridin-2-ylphenazine
PubChem CID57231896
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name1-pyridin-2-ylphenazine
SMILESc1ccc(-c2cccc3nc4ccccc4nc23)nc1
InChIInChI=1S/C17H11N3/c1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13/h1-11H
InChIKeyVIFMQDORTLDOKA-UHFFFAOYSA-N
XLogP3.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylphenazine?
The IUPAC name of 1-pyridin-2-ylphenazine (CID 57231896) is 1-pyridin-2-ylphenazine.
What is the SMILES notation for 1-pyridin-2-ylphenazine?
The canonical SMILES for 1-pyridin-2-ylphenazine is c1ccc(-c2cccc3nc4ccccc4nc23)nc1.
What is the InChIKey of 1-pyridin-2-ylphenazine?
The InChIKey is VIFMQDORTLDOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13/h1-11H.
What are the key properties of 1-pyridin-2-ylphenazine?
1-pyridin-2-ylphenazine has a molecular weight of 257.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylphenazine is sourced from PubChem (CID 57231896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).