2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile

C20H12FN3 — CID 46830507

IUPAC2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H12FN3/c21-17-6-8-18(9-7-17)24-20-10-5-14(11-16(20)13-23-24)19-4-2-1-3-15(19)12-22/h1-11,13H
InChIKeyVUTMSTDGJXSCFU-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.70
Rot. Bonds2

About 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile

2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile (PubChem CID 46830507) has the molecular formula C20H12FN3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
PubChem CID46830507
Molecular FormulaC20H12FN3
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC Name2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H12FN3/c21-17-6-8-18(9-7-17)24-20-10-5-14(11-16(20)13-23-24)19-4-2-1-3-15(19)12-22/h1-11,13H
InChIKeyVUTMSTDGJXSCFU-UHFFFAOYSA-N
XLogP4.70
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
The IUPAC name of 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile (CID 46830507) is 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile.
What is the SMILES notation for 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
The canonical SMILES for 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
The InChIKey is VUTMSTDGJXSCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3/c21-17-6-8-18(9-7-17)24-20-10-5-14(11-16(20)13-23-24)19-4-2-1-3-15(19)12-22/h1-11,13H.
What are the key properties of 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile has a molecular weight of 313.34 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile is sourced from PubChem (CID 46830507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).