molecular hydrogen;3-(2-phenylethynyl)-2H-indazole

C15H12N2 — CID 143801552

IUPACmolecular hydrogen;3-(2-phenylethynyl)-2H-indazole
SMILESC(#Cc1[nH]nc2ccccc12)c1ccccc1.[H][H]
InChIInChI=1S/C15H10N2.H2/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);1H
InChIKeyNZKDLMWRMUEGDK-UHFFFAOYSA-N
MW220.28 g/mol
LogP3.21
Rot. Bonds

About molecular hydrogen;3-(2-phenylethynyl)-2H-indazole

molecular hydrogen;3-(2-phenylethynyl)-2H-indazole (PubChem CID 143801552) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is molecular hydrogen;3-(2-phenylethynyl)-2H-indazole.

Molecular Properties

Compound Namemolecular hydrogen;3-(2-phenylethynyl)-2H-indazole
PubChem CID143801552
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Namemolecular hydrogen;3-(2-phenylethynyl)-2H-indazole
SMILESC(#Cc1[nH]nc2ccccc12)c1ccccc1.[H][H]
InChIInChI=1S/C15H10N2.H2/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);1H
InChIKeyNZKDLMWRMUEGDK-UHFFFAOYSA-N
XLogP3.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.21
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 molecular hydrogen;3-(2-phenylethynyl)-2H-indazole?
The IUPAC name of molecular hydrogen;3-(2-phenylethynyl)-2H-indazole (CID 143801552) is molecular hydrogen;3-(2-phenylethynyl)-2H-indazole.
What is the SMILES notation for molecular hydrogen;3-(2-phenylethynyl)-2H-indazole?
The canonical SMILES for molecular hydrogen;3-(2-phenylethynyl)-2H-indazole is C(#Cc1[nH]nc2ccccc12)c1ccccc1.[H][H].
What is the InChIKey of molecular hydrogen;3-(2-phenylethynyl)-2H-indazole?
The InChIKey is NZKDLMWRMUEGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2.H2/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);1H.
What are the key properties of molecular hydrogen;3-(2-phenylethynyl)-2H-indazole?
molecular hydrogen;3-(2-phenylethynyl)-2H-indazole has a molecular weight of 220.28 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-(2-phenylethynyl)-2H-indazole is sourced from PubChem (CID 143801552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).