6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile

C14H7F2N3 — CID 22260849

IUPAC6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile
SMILESN#Cc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C14H7F2N3/c15-10-3-1-2-8(4-10)14-11-5-9(7-17)12(16)6-13(11)18-19-14/h1-6H,(H,18,19)
InChIKeyKTQZGPLKODLONC-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.38
Rot. Bonds1

About 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile

6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile (PubChem CID 22260849) has the molecular formula C14H7F2N3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile
PubChem CID22260849
Molecular FormulaC14H7F2N3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile
SMILESN#Cc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C14H7F2N3/c15-10-3-1-2-8(4-10)14-11-5-9(7-17)12(16)6-13(11)18-19-14/h1-6H,(H,18,19)
InChIKeyKTQZGPLKODLONC-UHFFFAOYSA-N
XLogP3.38
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile?
The IUPAC name of 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile (CID 22260849) is 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile.
What is the SMILES notation for 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile?
The canonical SMILES for 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile is N#Cc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.
What is the InChIKey of 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile?
The InChIKey is KTQZGPLKODLONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N3/c15-10-3-1-2-8(4-10)14-11-5-9(7-17)12(16)6-13(11)18-19-14/h1-6H,(H,18,19).
What are the key properties of 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile?
6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile has a molecular weight of 255.23 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile is sourced from PubChem (CID 22260849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).