4-(1,3-benzodioxol-2-yl)-1H-indazole

C14H10N2O2 — CID 91171355

IUPAC4-(1,3-benzodioxol-2-yl)-1H-indazole
SMILESc1ccc2c(c1)OC(c1cccc3[nH]ncc13)O2
InChIInChI=1S/C14H10N2O2/c1-2-7-13-12(6-1)17-14(18-13)9-4-3-5-11-10(9)8-15-16-11/h1-8,14H,(H,15,16)
InChIKeyXPNJYUMBMUAQMR-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.03
Rot. Bonds1

About 4-(1,3-benzodioxol-2-yl)-1H-indazole

4-(1,3-benzodioxol-2-yl)-1H-indazole (PubChem CID 91171355) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-2-yl)-1H-indazole.

Molecular Properties

Compound Name4-(1,3-benzodioxol-2-yl)-1H-indazole
PubChem CID91171355
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4-(1,3-benzodioxol-2-yl)-1H-indazole
SMILESc1ccc2c(c1)OC(c1cccc3[nH]ncc13)O2
InChIInChI=1S/C14H10N2O2/c1-2-7-13-12(6-1)17-14(18-13)9-4-3-5-11-10(9)8-15-16-11/h1-8,14H,(H,15,16)
InChIKeyXPNJYUMBMUAQMR-UHFFFAOYSA-N
XLogP3.03
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-2-yl)-1H-indazole?
The IUPAC name of 4-(1,3-benzodioxol-2-yl)-1H-indazole (CID 91171355) is 4-(1,3-benzodioxol-2-yl)-1H-indazole.
What is the SMILES notation for 4-(1,3-benzodioxol-2-yl)-1H-indazole?
The canonical SMILES for 4-(1,3-benzodioxol-2-yl)-1H-indazole is c1ccc2c(c1)OC(c1cccc3[nH]ncc13)O2.
What is the InChIKey of 4-(1,3-benzodioxol-2-yl)-1H-indazole?
The InChIKey is XPNJYUMBMUAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-2-7-13-12(6-1)17-14(18-13)9-4-3-5-11-10(9)8-15-16-11/h1-8,14H,(H,15,16).
What are the key properties of 4-(1,3-benzodioxol-2-yl)-1H-indazole?
4-(1,3-benzodioxol-2-yl)-1H-indazole has a molecular weight of 238.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-2-yl)-1H-indazole is sourced from PubChem (CID 91171355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).