1-fluoro-5-phenylindazole

C13H9FN2 — CID 172683243

IUPAC1-fluoro-5-phenylindazole
SMILESFn1ncc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C13H9FN2/c14-16-13-7-6-11(8-12(13)9-15-16)10-4-2-1-3-5-10/h1-9H
InChIKeyAROKFGFRCFZRKT-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.44
Rot. Bonds1

About 1-fluoro-5-phenylindazole

1-fluoro-5-phenylindazole (PubChem CID 172683243) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-fluoro-5-phenylindazole.

Molecular Properties

Compound Name1-fluoro-5-phenylindazole
PubChem CID172683243
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name1-fluoro-5-phenylindazole
SMILESFn1ncc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C13H9FN2/c14-16-13-7-6-11(8-12(13)9-15-16)10-4-2-1-3-5-10/h1-9H
InChIKeyAROKFGFRCFZRKT-UHFFFAOYSA-N
XLogP3.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1H-indazole
CID 797066
7-Methyl-1H-indazole
CID 820797
1-Phenyl-1H-indazole
CID 304268
4-phenyl-6-(trifluoromethyl)-1H-indazole
CID 71735205
5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645447
6-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole
CID 90645460
6-methyl-4-phenyl-1H-indazole
CID 127046306
5-(Aminomethyl)-1H-indazole
CID 12096223
4-(1-indazolyliminomethyl)-N,N-dimethylaniline
CID 6900072
1-(4-Fluorophenyl)-5-[2-(trifluoromethyl)phenyl]indazole
CID 46830504
5-(2-ethylphenyl)-1H-indazole
CID 90645444
5-(2-propan-2-ylphenyl)-1H-indazole
CID 90645445

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-phenylindazole?
The IUPAC name of 1-fluoro-5-phenylindazole (CID 172683243) is 1-fluoro-5-phenylindazole.
What is the SMILES notation for 1-fluoro-5-phenylindazole?
The canonical SMILES for 1-fluoro-5-phenylindazole is Fn1ncc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 1-fluoro-5-phenylindazole?
The InChIKey is AROKFGFRCFZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-16-13-7-6-11(8-12(13)9-15-16)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-fluoro-5-phenylindazole?
1-fluoro-5-phenylindazole has a molecular weight of 212.23 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-phenylindazole is sourced from PubChem (CID 172683243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).