phenazine-1-carbonyl chloride

C13H7ClN2O — CID 71668468

IUPACphenazine-1-carbonyl chloride
SMILESO=C(Cl)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H7ClN2O/c14-13(17)8-4-3-7-11-12(8)16-10-6-2-1-5-9(10)15-11/h1-7H
InChIKeyVFFOJTVGRIPGKM-UHFFFAOYSA-N
MW242.67 g/mol
LogP3.16
Rot. Bonds1

About phenazine-1-carbonyl chloride

phenazine-1-carbonyl chloride (PubChem CID 71668468) has the molecular formula C13H7ClN2O and a molecular weight of 242.67 g/mol. Its IUPAC name is phenazine-1-carbonyl chloride.

Molecular Properties

Compound Namephenazine-1-carbonyl chloride
PubChem CID71668468
Molecular FormulaC13H7ClN2O
Molecular Weight242.67 g/mol
Exact Mass242.02
IUPAC Namephenazine-1-carbonyl chloride
SMILESO=C(Cl)c1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H7ClN2O/c14-13(17)8-4-3-7-11-12(8)16-10-6-2-1-5-9(10)15-11/h1-7H
InChIKeyVFFOJTVGRIPGKM-UHFFFAOYSA-N
XLogP3.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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 phenazine-1-carbonyl chloride?
The IUPAC name of phenazine-1-carbonyl chloride (CID 71668468) is phenazine-1-carbonyl chloride.
What is the SMILES notation for phenazine-1-carbonyl chloride?
The canonical SMILES for phenazine-1-carbonyl chloride is O=C(Cl)c1cccc2nc3ccccc3nc12.
What is the InChIKey of phenazine-1-carbonyl chloride?
The InChIKey is VFFOJTVGRIPGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O/c14-13(17)8-4-3-7-11-12(8)16-10-6-2-1-5-9(10)15-11/h1-7H.
What are the key properties of phenazine-1-carbonyl chloride?
phenazine-1-carbonyl chloride has a molecular weight of 242.67 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine-1-carbonyl chloride is sourced from PubChem (CID 71668468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).