5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

C20H13F2N3 — CID 156734131

IUPAC5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESFc1cc(F)cc(-c2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C20H13F2N3/c21-15-9-14(10-16(22)12-15)13-4-6-19-18(11-13)20(25-24-19)7-5-17-3-1-2-8-23-17/h1-12H,(H,24,25)/b7-5+
InChIKeyQUOOWHZYYXJNSD-FNORWQNLSA-N
MW333.34 g/mol
LogP5.07
Rot. Bonds3

About 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (PubChem CID 156734131) has the molecular formula C20H13F2N3 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
PubChem CID156734131
Molecular FormulaC20H13F2N3
Molecular Weight333.34 g/mol
Exact Mass333.11
IUPAC Name5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESFc1cc(F)cc(-c2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C20H13F2N3/c21-15-9-14(10-16(22)12-15)13-4-6-19-18(11-13)20(25-24-19)7-5-17-3-1-2-8-23-17/h1-12H,(H,24,25)/b7-5+
InChIKeyQUOOWHZYYXJNSD-FNORWQNLSA-N
XLogP5.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.34
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The IUPAC name of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (CID 156734131) is 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.
What is the SMILES notation for 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The canonical SMILES for 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is Fc1cc(F)cc(-c2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The InChIKey is QUOOWHZYYXJNSD-FNORWQNLSA-N. The full InChI is InChI=1S/C20H13F2N3/c21-15-9-14(10-16(22)12-15)13-4-6-19-18(11-13)20(25-24-19)7-5-17-3-1-2-8-23-17/h1-12H,(H,24,25)/b7-5+.
What are the key properties of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole has a molecular weight of 333.34 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is sourced from PubChem (CID 156734131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).