6-fluoro-1H-phenanthro[9,10-d]pyrazole

C15H9FN2 — CID 141323090

IUPAC6-fluoro-1H-phenanthro[9,10-d]pyrazole
SMILESFc1ccc2c(c1)c1ccccc1c1[nH]ncc21
InChIInChI=1S/C15H9FN2/c16-9-5-6-11-13(7-9)10-3-1-2-4-12(10)15-14(11)8-17-18-15/h1-8H,(H,17,18)
InChIKeyWVCKNNXCYQVKLF-UHFFFAOYSA-N
MW236.25 g/mol
LogP4.01
Rot. Bonds

About 6-fluoro-1H-phenanthro[9,10-d]pyrazole

6-fluoro-1H-phenanthro[9,10-d]pyrazole (PubChem CID 141323090) has the molecular formula C15H9FN2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-fluoro-1H-phenanthro[9,10-d]pyrazole.

Molecular Properties

Compound Name6-fluoro-1H-phenanthro[9,10-d]pyrazole
PubChem CID141323090
Molecular FormulaC15H9FN2
Molecular Weight236.25 g/mol
Exact Mass236.07
IUPAC Name6-fluoro-1H-phenanthro[9,10-d]pyrazole
SMILESFc1ccc2c(c1)c1ccccc1c1[nH]ncc21
InChIInChI=1S/C15H9FN2/c16-9-5-6-11-13(7-9)10-3-1-2-4-12(10)15-14(11)8-17-18-15/h1-8H,(H,17,18)
InChIKeyWVCKNNXCYQVKLF-UHFFFAOYSA-N
XLogP4.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-fluoro-1H-phenanthro[9,10-d]pyrazole?
The IUPAC name of 6-fluoro-1H-phenanthro[9,10-d]pyrazole (CID 141323090) is 6-fluoro-1H-phenanthro[9,10-d]pyrazole.
What is the SMILES notation for 6-fluoro-1H-phenanthro[9,10-d]pyrazole?
The canonical SMILES for 6-fluoro-1H-phenanthro[9,10-d]pyrazole is Fc1ccc2c(c1)c1ccccc1c1[nH]ncc21.
What is the InChIKey of 6-fluoro-1H-phenanthro[9,10-d]pyrazole?
The InChIKey is WVCKNNXCYQVKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2/c16-9-5-6-11-13(7-9)10-3-1-2-4-12(10)15-14(11)8-17-18-15/h1-8H,(H,17,18).
What are the key properties of 6-fluoro-1H-phenanthro[9,10-d]pyrazole?
6-fluoro-1H-phenanthro[9,10-d]pyrazole has a molecular weight of 236.25 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-phenanthro[9,10-d]pyrazole is sourced from PubChem (CID 141323090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).