5-fluoro-1H-phenanthridine

C13H10FN — CID 23295414

IUPAC5-fluoro-1H-phenanthridine
SMILESFN1C=c2ccccc2=C2CC=CC=C21
InChIInChI=1S/C13H10FN/c14-15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15/h1-6,8-9H,7H2
InChIKeyJRVPFCGCHJOMEL-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.62
Rot. Bonds

About 5-fluoro-1H-phenanthridine

5-fluoro-1H-phenanthridine (PubChem CID 23295414) has the molecular formula C13H10FN and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-fluoro-1H-phenanthridine.

Molecular Properties

Compound Name5-fluoro-1H-phenanthridine
PubChem CID23295414
Molecular FormulaC13H10FN
Molecular Weight199.23 g/mol
Exact Mass199.08
IUPAC Name5-fluoro-1H-phenanthridine
SMILESFN1C=c2ccccc2=C2CC=CC=C21
InChIInChI=1S/C13H10FN/c14-15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15/h1-6,8-9H,7H2
InChIKeyJRVPFCGCHJOMEL-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-phenanthridine?
The IUPAC name of 5-fluoro-1H-phenanthridine (CID 23295414) is 5-fluoro-1H-phenanthridine.
What is the SMILES notation for 5-fluoro-1H-phenanthridine?
The canonical SMILES for 5-fluoro-1H-phenanthridine is FN1C=c2ccccc2=C2CC=CC=C21.
What is the InChIKey of 5-fluoro-1H-phenanthridine?
The InChIKey is JRVPFCGCHJOMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN/c14-15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15/h1-6,8-9H,7H2.
What are the key properties of 5-fluoro-1H-phenanthridine?
5-fluoro-1H-phenanthridine has a molecular weight of 199.23 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-phenanthridine is sourced from PubChem (CID 23295414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).