3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol

C16H11N3O — CID 135985511

IUPAC3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2
InChIInChI=1S/C16H11N3O/c20-16-13(12-3-1-2-4-14(12)18-16)7-10-5-6-11-9-17-19-15(11)8-10/h1-9,18,20H/b10-7+
InChIKeyFZVPPSUBWQTZDO-JXMROGBWSA-N
MW261.28 g/mol
LogP2.54
Rot. Bonds1

About 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol

3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol (PubChem CID 135985511) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
PubChem CID135985511
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2
InChIInChI=1S/C16H11N3O/c20-16-13(12-3-1-2-4-14(12)18-16)7-10-5-6-11-9-17-19-15(11)8-10/h1-9,18,20H/b10-7+
InChIKeyFZVPPSUBWQTZDO-JXMROGBWSA-N
XLogP2.54
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol (CID 135985511) is 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NC=2.
What is the InChIKey of 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
The InChIKey is FZVPPSUBWQTZDO-JXMROGBWSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-13(12-3-1-2-4-14(12)18-16)7-10-5-6-11-9-17-19-15(11)8-10/h1-9,18,20H/b10-7+.
What are the key properties of 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol has a molecular weight of 261.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol is sourced from PubChem (CID 135985511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).