3-(1H-indazol-3-yl)benzonitrile

C14H9N3 — CID 83446531

IUPAC3-(1H-indazol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C14H9N3/c15-9-10-4-3-5-11(8-10)14-12-6-1-2-7-13(12)16-17-14/h1-8H,(H,16,17)
InChIKeySISKXYWRDSONOH-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.10
Rot. Bonds1

About 3-(1H-indazol-3-yl)benzonitrile

3-(1H-indazol-3-yl)benzonitrile (PubChem CID 83446531) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-(1H-indazol-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(1H-indazol-3-yl)benzonitrile
PubChem CID83446531
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name3-(1H-indazol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C14H9N3/c15-9-10-4-3-5-11(8-10)14-12-6-1-2-7-13(12)16-17-14/h1-8H,(H,16,17)
InChIKeySISKXYWRDSONOH-UHFFFAOYSA-N
XLogP3.10
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-3-yl)benzonitrile?
The IUPAC name of 3-(1H-indazol-3-yl)benzonitrile (CID 83446531) is 3-(1H-indazol-3-yl)benzonitrile.
What is the SMILES notation for 3-(1H-indazol-3-yl)benzonitrile?
The canonical SMILES for 3-(1H-indazol-3-yl)benzonitrile is N#Cc1cccc(-c2n[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indazol-3-yl)benzonitrile?
The InChIKey is SISKXYWRDSONOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-9-10-4-3-5-11(8-10)14-12-6-1-2-7-13(12)16-17-14/h1-8H,(H,16,17).
What are the key properties of 3-(1H-indazol-3-yl)benzonitrile?
3-(1H-indazol-3-yl)benzonitrile has a molecular weight of 219.25 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-yl)benzonitrile is sourced from PubChem (CID 83446531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).