phenanthridin-1-yl perchlorate

C13H8ClNO4 — CID 88809375

IUPACphenanthridin-1-yl perchlorate
SMILES[O-][Cl+3]([O-])([O-])Oc1cccc2ncc3ccccc3c12
InChIInChI=1S/C13H8ClNO4/c16-14(17,18)19-12-7-3-6-11-13(12)10-5-2-1-4-9(10)8-15-11/h1-8H
InChIKeyLYVNXZVPKLZKNN-UHFFFAOYSA-N
MW277.66 g/mol
LogP-0.34
Rot. Bonds2

About phenanthridin-1-yl perchlorate

phenanthridin-1-yl perchlorate (PubChem CID 88809375) has the molecular formula C13H8ClNO4 and a molecular weight of 277.66 g/mol. Its IUPAC name is phenanthridin-1-yl perchlorate.

Molecular Properties

Compound Namephenanthridin-1-yl perchlorate
PubChem CID88809375
Molecular FormulaC13H8ClNO4
Molecular Weight277.66 g/mol
Exact Mass277.01
IUPAC Namephenanthridin-1-yl perchlorate
SMILES[O-][Cl+3]([O-])([O-])Oc1cccc2ncc3ccccc3c12
InChIInChI=1S/C13H8ClNO4/c16-14(17,18)19-12-7-3-6-11-13(12)10-5-2-1-4-9(10)8-15-11/h1-8H
InChIKeyLYVNXZVPKLZKNN-UHFFFAOYSA-N
XLogP-0.34
TPSA91.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.66
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 phenanthridin-1-yl perchlorate?
The IUPAC name of phenanthridin-1-yl perchlorate (CID 88809375) is phenanthridin-1-yl perchlorate.
What is the SMILES notation for phenanthridin-1-yl perchlorate?
The canonical SMILES for phenanthridin-1-yl perchlorate is [O-][Cl+3]([O-])([O-])Oc1cccc2ncc3ccccc3c12.
What is the InChIKey of phenanthridin-1-yl perchlorate?
The InChIKey is LYVNXZVPKLZKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO4/c16-14(17,18)19-12-7-3-6-11-13(12)10-5-2-1-4-9(10)8-15-11/h1-8H.
What are the key properties of phenanthridin-1-yl perchlorate?
phenanthridin-1-yl perchlorate has a molecular weight of 277.66 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthridin-1-yl perchlorate is sourced from PubChem (CID 88809375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).