3-(2-phenylethynyl)-2H-indazole

C15H10N2 — CID 20644743

IUPAC3-(2-phenylethynyl)-2H-indazole
SMILESC(#Cc1[nH]nc2ccccc12)c1ccccc1
InChIInChI=1S/C15H10N2/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-9H,(H,16,17)
InChIKeyPBVODLIVAWFCPQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.96
Rot. Bonds

About 3-(2-phenylethynyl)-2H-indazole

3-(2-phenylethynyl)-2H-indazole (PubChem CID 20644743) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-phenylethynyl)-2H-indazole.

Molecular Properties

Compound Name3-(2-phenylethynyl)-2H-indazole
PubChem CID20644743
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name3-(2-phenylethynyl)-2H-indazole
SMILESC(#Cc1[nH]nc2ccccc12)c1ccccc1
InChIInChI=1S/C15H10N2/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-9H,(H,16,17)
InChIKeyPBVODLIVAWFCPQ-UHFFFAOYSA-N
XLogP2.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethynyl)-2H-indazole?
The IUPAC name of 3-(2-phenylethynyl)-2H-indazole (CID 20644743) is 3-(2-phenylethynyl)-2H-indazole.
What is the SMILES notation for 3-(2-phenylethynyl)-2H-indazole?
The canonical SMILES for 3-(2-phenylethynyl)-2H-indazole is C(#Cc1[nH]nc2ccccc12)c1ccccc1.
What is the InChIKey of 3-(2-phenylethynyl)-2H-indazole?
The InChIKey is PBVODLIVAWFCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-9H,(H,16,17).
What are the key properties of 3-(2-phenylethynyl)-2H-indazole?
3-(2-phenylethynyl)-2H-indazole has a molecular weight of 218.26 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynyl)-2H-indazole is sourced from PubChem (CID 20644743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).