3-indazol-2-ylbenzonitrile

C14H9N3 — CID 3067345

IUPAC3-indazol-2-ylbenzonitrile
SMILESN#Cc1cccc(-n2cc3ccccc3n2)c1
InChIInChI=1S/C14H9N3/c15-9-11-4-3-6-13(8-11)17-10-12-5-1-2-7-14(12)16-17/h1-8,10H
InChIKeyIETRONPRJQXZBZ-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.90
Rot. Bonds1

About 3-indazol-2-ylbenzonitrile

3-indazol-2-ylbenzonitrile (PubChem CID 3067345) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-indazol-2-ylbenzonitrile.

Molecular Properties

Compound Name3-indazol-2-ylbenzonitrile
PubChem CID3067345
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name3-indazol-2-ylbenzonitrile
SMILESN#Cc1cccc(-n2cc3ccccc3n2)c1
InChIInChI=1S/C14H9N3/c15-9-11-4-3-6-13(8-11)17-10-12-5-1-2-7-14(12)16-17/h1-8,10H
InChIKeyIETRONPRJQXZBZ-UHFFFAOYSA-N
XLogP2.90
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-2-ylbenzonitrile?
The IUPAC name of 3-indazol-2-ylbenzonitrile (CID 3067345) is 3-indazol-2-ylbenzonitrile.
What is the SMILES notation for 3-indazol-2-ylbenzonitrile?
The canonical SMILES for 3-indazol-2-ylbenzonitrile is N#Cc1cccc(-n2cc3ccccc3n2)c1.
What is the InChIKey of 3-indazol-2-ylbenzonitrile?
The InChIKey is IETRONPRJQXZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c15-9-11-4-3-6-13(8-11)17-10-12-5-1-2-7-14(12)16-17/h1-8,10H.
What are the key properties of 3-indazol-2-ylbenzonitrile?
3-indazol-2-ylbenzonitrile has a molecular weight of 219.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-2-ylbenzonitrile is sourced from PubChem (CID 3067345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).