3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole

C15H8F2N2 — CID 42606079

IUPAC3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole
SMILESFc1cc(F)cc(C#Cc2[nH]nc3ccccc23)c1
InChIInChI=1S/C15H8F2N2/c16-11-7-10(8-12(17)9-11)5-6-15-13-3-1-2-4-14(13)18-19-15/h1-4,7-9H,(H,18,19)
InChIKeyMFZIDGDFSINAIK-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.24
Rot. Bonds

About 3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole

3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole (PubChem CID 42606079) has the molecular formula C15H8F2N2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole.

Molecular Properties

Compound Name3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole
PubChem CID42606079
Molecular FormulaC15H8F2N2
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole
SMILESFc1cc(F)cc(C#Cc2[nH]nc3ccccc23)c1
InChIInChI=1S/C15H8F2N2/c16-11-7-10(8-12(17)9-11)5-6-15-13-3-1-2-4-14(13)18-19-15/h1-4,7-9H,(H,18,19)
InChIKeyMFZIDGDFSINAIK-UHFFFAOYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.24
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-(3,5-difluorophenyl)ethynyl]-2H-indazole?
The IUPAC name of 3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole (CID 42606079) is 3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole.
What is the SMILES notation for 3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole?
The canonical SMILES for 3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole is Fc1cc(F)cc(C#Cc2[nH]nc3ccccc23)c1.
What is the InChIKey of 3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole?
The InChIKey is MFZIDGDFSINAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2/c16-11-7-10(8-12(17)9-11)5-6-15-13-3-1-2-4-14(13)18-19-15/h1-4,7-9H,(H,18,19).
What are the key properties of 3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole?
3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole has a molecular weight of 254.24 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-difluorophenyl)ethynyl]-2H-indazole is sourced from PubChem (CID 42606079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).