5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole

C15H12N2O2 — CID 56708712

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole
SMILESc1cc2c(cc1-c1ccc3[nH]ncc3c1)OCCO2
InChIInChI=1S/C15H12N2O2/c1-3-13-12(9-16-17-13)7-10(1)11-2-4-14-15(8-11)19-6-5-18-14/h1-4,7-9H,5-6H2,(H,16,17)
InChIKeyDSKGYZPZRWQWHX-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.00
Rot. Bonds1

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole (PubChem CID 56708712) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole
PubChem CID56708712
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole
SMILESc1cc2c(cc1-c1ccc3[nH]ncc3c1)OCCO2
InChIInChI=1S/C15H12N2O2/c1-3-13-12(9-16-17-13)7-10(1)11-2-4-14-15(8-11)19-6-5-18-14/h1-4,7-9H,5-6H2,(H,16,17)
InChIKeyDSKGYZPZRWQWHX-UHFFFAOYSA-N
XLogP3.00
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(Benzyloxy)phenyl]-4-(1h-indazol-5-yl)pyrimidin-2(1h)-one
CID 24759583
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
6-ethoxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645466
6-(3-ethoxyphenyl)-1H-indazole
CID 145952450
2-[[4-(1H-indazol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 155536047
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1H-indazol-5-yl)phenoxy]propan-2-ol
CID 90335157
6-(Benzyloxy)-1H-indazole
CID 11535911
5-(benzyloxy)-1H-indazole
CID 12798088
7,8-Dimethoxy-10,11-dihydro-3H-naphtho(1,2-g)indazole
CID 317781
5-[2-(trifluoromethoxy)phenyl]-1H-indazole
CID 90645449
6-(3-ethoxy-2-fluorophenyl)-1H-indazole
CID 145949598

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole (CID 56708712) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole is c1cc2c(cc1-c1ccc3[nH]ncc3c1)OCCO2.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole?
The InChIKey is DSKGYZPZRWQWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-3-13-12(9-16-17-13)7-10(1)11-2-4-14-15(8-11)19-6-5-18-14/h1-4,7-9H,5-6H2,(H,16,17).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole has a molecular weight of 252.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole is sourced from PubChem (CID 56708712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).