3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole

C19H12ClFN2 — CID 121402584

IUPAC3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole
SMILESFc1ccc2c(-c3cccc(-c4cccc(Cl)c4)c3)n[nH]c2c1
InChIInChI=1S/C19H12ClFN2/c20-15-6-2-4-13(10-15)12-3-1-5-14(9-12)19-17-8-7-16(21)11-18(17)22-23-19/h1-11H,(H,22,23)
InChIKeyMUBJITFEFYFBDO-UHFFFAOYSA-N
MW322.77 g/mol
LogP5.69
Rot. Bonds2

About 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole

3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole (PubChem CID 121402584) has the molecular formula C19H12ClFN2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole
PubChem CID121402584
Molecular FormulaC19H12ClFN2
Molecular Weight322.77 g/mol
Exact Mass322.07
IUPAC Name3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole
SMILESFc1ccc2c(-c3cccc(-c4cccc(Cl)c4)c3)n[nH]c2c1
InChIInChI=1S/C19H12ClFN2/c20-15-6-2-4-13(10-15)12-3-1-5-14(9-12)19-17-8-7-16(21)11-18(17)22-23-19/h1-11H,(H,22,23)
InChIKeyMUBJITFEFYFBDO-UHFFFAOYSA-N
XLogP5.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.77
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole?
The IUPAC name of 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole (CID 121402584) is 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole.
What is the SMILES notation for 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole?
The canonical SMILES for 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole is Fc1ccc2c(-c3cccc(-c4cccc(Cl)c4)c3)n[nH]c2c1.
What is the InChIKey of 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole?
The InChIKey is MUBJITFEFYFBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2/c20-15-6-2-4-13(10-15)12-3-1-5-14(9-12)19-17-8-7-16(21)11-18(17)22-23-19/h1-11H,(H,22,23).
What are the key properties of 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole?
3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole has a molecular weight of 322.77 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole is sourced from PubChem (CID 121402584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).