8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride

C14H7ClFNO2 — CID 22727932

IUPAC8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12
InChIInChI=1S/C14H7ClFNO2/c15-13(18)7-1-3-10-9-4-2-8(16)6-11(9)14(19)17-12(10)5-7/h1-6H,(H,17,19)
InChIKeySABGBYYPCLQZCJ-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.20
Rot. Bonds1

About 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride

8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride (PubChem CID 22727932) has the molecular formula C14H7ClFNO2 and a molecular weight of 275.67 g/mol. Its IUPAC name is 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride.

Molecular Properties

Compound Name8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride
PubChem CID22727932
Molecular FormulaC14H7ClFNO2
Molecular Weight275.67 g/mol
Exact Mass275.01
IUPAC Name8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12
InChIInChI=1S/C14H7ClFNO2/c15-13(18)7-1-3-10-9-4-2-8(16)6-11(9)14(19)17-12(10)5-7/h1-6H,(H,17,19)
InChIKeySABGBYYPCLQZCJ-UHFFFAOYSA-N
XLogP3.20
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride?
The IUPAC name of 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride (CID 22727932) is 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride.
What is the SMILES notation for 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride?
The canonical SMILES for 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride is O=C(Cl)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12.
What is the InChIKey of 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride?
The InChIKey is SABGBYYPCLQZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO2/c15-13(18)7-1-3-10-9-4-2-8(16)6-11(9)14(19)17-12(10)5-7/h1-6H,(H,17,19).
What are the key properties of 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride?
8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride has a molecular weight of 275.67 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-oxo-5H-phenanthridine-3-carbonyl chloride is sourced from PubChem (CID 22727932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).