2,9-difluoro-5-hydroxyphenanthridin-6-one

C13H7F2NO2 — CID 67296865

IUPAC2,9-difluoro-5-hydroxyphenanthridin-6-one
SMILESO=c1c2ccc(F)cc2c2cc(F)ccc2n1O
InChIInChI=1S/C13H7F2NO2/c14-7-1-3-9-10(5-7)11-6-8(15)2-4-12(11)16(18)13(9)17/h1-6,18H
InChIKeyGGDDWHGJTXABPB-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.67
Rot. Bonds

About 2,9-difluoro-5-hydroxyphenanthridin-6-one

2,9-difluoro-5-hydroxyphenanthridin-6-one (PubChem CID 67296865) has the molecular formula C13H7F2NO2 and a molecular weight of 247.20 g/mol. Its IUPAC name is 2,9-difluoro-5-hydroxyphenanthridin-6-one.

Molecular Properties

Compound Name2,9-difluoro-5-hydroxyphenanthridin-6-one
PubChem CID67296865
Molecular FormulaC13H7F2NO2
Molecular Weight247.20 g/mol
Exact Mass247.04
IUPAC Name2,9-difluoro-5-hydroxyphenanthridin-6-one
SMILESO=c1c2ccc(F)cc2c2cc(F)ccc2n1O
InChIInChI=1S/C13H7F2NO2/c14-7-1-3-9-10(5-7)11-6-8(15)2-4-12(11)16(18)13(9)17/h1-6,18H
InChIKeyGGDDWHGJTXABPB-UHFFFAOYSA-N
XLogP2.67
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,9-difluoro-5-hydroxyphenanthridin-6-one?
The IUPAC name of 2,9-difluoro-5-hydroxyphenanthridin-6-one (CID 67296865) is 2,9-difluoro-5-hydroxyphenanthridin-6-one.
What is the SMILES notation for 2,9-difluoro-5-hydroxyphenanthridin-6-one?
The canonical SMILES for 2,9-difluoro-5-hydroxyphenanthridin-6-one is O=c1c2ccc(F)cc2c2cc(F)ccc2n1O.
What is the InChIKey of 2,9-difluoro-5-hydroxyphenanthridin-6-one?
The InChIKey is GGDDWHGJTXABPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NO2/c14-7-1-3-9-10(5-7)11-6-8(15)2-4-12(11)16(18)13(9)17/h1-6,18H.
What are the key properties of 2,9-difluoro-5-hydroxyphenanthridin-6-one?
2,9-difluoro-5-hydroxyphenanthridin-6-one has a molecular weight of 247.20 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-difluoro-5-hydroxyphenanthridin-6-one is sourced from PubChem (CID 67296865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).