7-(phenyliminomethyl)-1H-indazol-6-ol

C14H11N3O — CID 137013151

IUPAC7-(phenyliminomethyl)-1H-indazol-6-ol
SMILESOc1ccc2cn[nH]c2c1/C=N/c1ccccc1
InChIInChI=1S/C14H11N3O/c18-13-7-6-10-8-16-17-14(10)12(13)9-15-11-4-2-1-3-5-11/h1-9,18H,(H,16,17)/b15-9+
InChIKeyHRIFJYCGKNKYIW-OQLLNIDSSA-N
MW237.26 g/mol
LogP3.02
Rot. Bonds2

About 7-(phenyliminomethyl)-1H-indazol-6-ol

7-(phenyliminomethyl)-1H-indazol-6-ol (PubChem CID 137013151) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-(phenyliminomethyl)-1H-indazol-6-ol.

Molecular Properties

Compound Name7-(phenyliminomethyl)-1H-indazol-6-ol
PubChem CID137013151
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name7-(phenyliminomethyl)-1H-indazol-6-ol
SMILESOc1ccc2cn[nH]c2c1/C=N/c1ccccc1
InChIInChI=1S/C14H11N3O/c18-13-7-6-10-8-16-17-14(10)12(13)9-15-11-4-2-1-3-5-11/h1-9,18H,(H,16,17)/b15-9+
InChIKeyHRIFJYCGKNKYIW-OQLLNIDSSA-N
XLogP3.02
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(phenyliminomethyl)-1H-indazol-6-ol?
The IUPAC name of 7-(phenyliminomethyl)-1H-indazol-6-ol (CID 137013151) is 7-(phenyliminomethyl)-1H-indazol-6-ol.
What is the SMILES notation for 7-(phenyliminomethyl)-1H-indazol-6-ol?
The canonical SMILES for 7-(phenyliminomethyl)-1H-indazol-6-ol is Oc1ccc2cn[nH]c2c1/C=N/c1ccccc1.
What is the InChIKey of 7-(phenyliminomethyl)-1H-indazol-6-ol?
The InChIKey is HRIFJYCGKNKYIW-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3O/c18-13-7-6-10-8-16-17-14(10)12(13)9-15-11-4-2-1-3-5-11/h1-9,18H,(H,16,17)/b15-9+.
What are the key properties of 7-(phenyliminomethyl)-1H-indazol-6-ol?
7-(phenyliminomethyl)-1H-indazol-6-ol has a molecular weight of 237.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(phenyliminomethyl)-1H-indazol-6-ol is sourced from PubChem (CID 137013151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).