sodium 1-benzylindazol-3-olate

C14H11N2NaO — CID 23691647

IUPACsodium 1-benzylindazol-3-olate
SMILES[Na+].[O-]c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C14H12N2O.Na/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,15,17);/q;+1/p-1
InChIKeyPOYTWGDRMIVNEF-UHFFFAOYSA-M
MW246.25 g/mol
LogP-0.84
Rot. Bonds2

About sodium 1-benzylindazol-3-olate

sodium 1-benzylindazol-3-olate (PubChem CID 23691647) has the molecular formula C14H11N2NaO and a molecular weight of 246.25 g/mol. Its IUPAC name is sodium 1-benzylindazol-3-olate.

Molecular Properties

Compound Namesodium 1-benzylindazol-3-olate
PubChem CID23691647
Molecular FormulaC14H11N2NaO
Molecular Weight246.25 g/mol
Exact Mass246.08
IUPAC Namesodium 1-benzylindazol-3-olate
SMILES[Na+].[O-]c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C14H12N2O.Na/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,15,17);/q;+1/p-1
InChIKeyPOYTWGDRMIVNEF-UHFFFAOYSA-M
XLogP-0.84
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-phenylethynyl)indazole
CID 25222067
1-benzylindazole-3-carboxylate
CID 22239042
1-benzyl-3-ethynylindazole
CID 87472716
(1-benzylindazol-3-yl)methanediol
CID 71016643
1-benzyl-3-(3-chloropropoxy)indazole;hydrochloride
CID 71371657
3-(1-benzylindazol-3-yl)propanal
CID 167222160
1-benzyl-3-(3-chloropropylsulfanyl)indazole
CID 165345494
1-benzyl-3-prop-1-enoxyindazole
CID 53421497
dipotassium;2-(1-benzylindazol-3-yl)oxypropanedioate
CID 46204253
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
2-(1-benzylindazol-3-yl)oxyacetamide
CID 57182784
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406

Frequently Asked Questions

What is the IUPAC name of sodium 1-benzylindazol-3-olate?
The IUPAC name of sodium 1-benzylindazol-3-olate (CID 23691647) is sodium 1-benzylindazol-3-olate.
What is the SMILES notation for sodium 1-benzylindazol-3-olate?
The canonical SMILES for sodium 1-benzylindazol-3-olate is [Na+].[O-]c1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of sodium 1-benzylindazol-3-olate?
The InChIKey is POYTWGDRMIVNEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N2O.Na/c17-14-12-8-4-5-9-13(12)16(15-14)10-11-6-2-1-3-7-11;/h1-9H,10H2,(H,15,17);/q;+1/p-1.
What are the key properties of sodium 1-benzylindazol-3-olate?
sodium 1-benzylindazol-3-olate has a molecular weight of 246.25 g/mol, XLogP of -0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-benzylindazol-3-olate is sourced from PubChem (CID 23691647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).