8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine

C14H7FN4O2 — CID 118711718

IUPAC8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine
SMILESO=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1c(F)cccc12
InChIInChI=1S/C14H7FN4O2/c15-10-3-1-2-7-8(10)5-16-14-12(19(20)21)4-11-9(13(7)14)6-17-18-11/h1-6H,(H,17,18)
InChIKeyXKUZHDHUOAPVLO-UHFFFAOYSA-N
MW282.23 g/mol
LogP3.31
Rot. Bonds1

About 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine

8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine (PubChem CID 118711718) has the molecular formula C14H7FN4O2 and a molecular weight of 282.23 g/mol. Its IUPAC name is 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine.

Molecular Properties

Compound Name8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine
PubChem CID118711718
Molecular FormulaC14H7FN4O2
Molecular Weight282.23 g/mol
Exact Mass282.06
IUPAC Name8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine
SMILESO=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1c(F)cccc12
InChIInChI=1S/C14H7FN4O2/c15-10-3-1-2-7-8(10)5-16-14-12(19(20)21)4-11-9(13(7)14)6-17-18-11/h1-6H,(H,17,18)
InChIKeyXKUZHDHUOAPVLO-UHFFFAOYSA-N
XLogP3.31
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine?
The IUPAC name of 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine (CID 118711718) is 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine.
What is the SMILES notation for 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine?
The canonical SMILES for 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine is O=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1c(F)cccc12.
What is the InChIKey of 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine?
The InChIKey is XKUZHDHUOAPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN4O2/c15-10-3-1-2-7-8(10)5-16-14-12(19(20)21)4-11-9(13(7)14)6-17-18-11/h1-6H,(H,17,18).
What are the key properties of 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine?
8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine has a molecular weight of 282.23 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine is sourced from PubChem (CID 118711718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).