sodium 2-(1-benzylindazol-3-yl)oxyacetate

C16H13N2NaO3 — CID 23662369

IUPACsodium 2-(1-benzylindazol-3-yl)oxyacetate
SMILESO=C([O-])COc1nn(Cc2ccccc2)c2ccccc12.[Na+]
InChIInChI=1S/C16H14N2O3.Na/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;/h1-9H,10-11H2,(H,19,20);/q;+1/p-1
InChIKeyGHFGHIKJGVMEFT-UHFFFAOYSA-M
MW304.28 g/mol
LogP-1.78
Rot. Bonds5

About sodium 2-(1-benzylindazol-3-yl)oxyacetate

sodium 2-(1-benzylindazol-3-yl)oxyacetate (PubChem CID 23662369) has the molecular formula C16H13N2NaO3 and a molecular weight of 304.28 g/mol. Its IUPAC name is sodium 2-(1-benzylindazol-3-yl)oxyacetate.

Molecular Properties

Compound Namesodium 2-(1-benzylindazol-3-yl)oxyacetate
PubChem CID23662369
Molecular FormulaC16H13N2NaO3
Molecular Weight304.28 g/mol
Exact Mass304.08
IUPAC Namesodium 2-(1-benzylindazol-3-yl)oxyacetate
SMILESO=C([O-])COc1nn(Cc2ccccc2)c2ccccc12.[Na+]
InChIInChI=1S/C16H14N2O3.Na/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;/h1-9H,10-11H2,(H,19,20);/q;+1/p-1
InChIKeyGHFGHIKJGVMEFT-UHFFFAOYSA-M
XLogP-1.78
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(1-benzylindazol-3-yl)oxyacetate?
The IUPAC name of sodium 2-(1-benzylindazol-3-yl)oxyacetate (CID 23662369) is sodium 2-(1-benzylindazol-3-yl)oxyacetate.
What is the SMILES notation for sodium 2-(1-benzylindazol-3-yl)oxyacetate?
The canonical SMILES for sodium 2-(1-benzylindazol-3-yl)oxyacetate is O=C([O-])COc1nn(Cc2ccccc2)c2ccccc12.[Na+].
What is the InChIKey of sodium 2-(1-benzylindazol-3-yl)oxyacetate?
The InChIKey is GHFGHIKJGVMEFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N2O3.Na/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12;/h1-9H,10-11H2,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 2-(1-benzylindazol-3-yl)oxyacetate?
sodium 2-(1-benzylindazol-3-yl)oxyacetate has a molecular weight of 304.28 g/mol, XLogP of -1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(1-benzylindazol-3-yl)oxyacetate is sourced from PubChem (CID 23662369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).