2-(1H-indazol-3-yliminomethyl)phenol

C14H11N3O — CID 2804985

IUPAC2-(1H-indazol-3-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1n[nH]c2ccccc12
InChIInChI=1S/C14H11N3O/c18-13-8-4-1-5-10(13)9-15-14-11-6-2-3-7-12(11)16-17-14/h1-9,18H,(H,16,17)/b15-9+
InChIKeyRVSVZIOWJMVPAW-OQLLNIDSSA-N
MW237.26 g/mol
LogP3.02
Rot. Bonds2

About 2-(1H-indazol-3-yliminomethyl)phenol

2-(1H-indazol-3-yliminomethyl)phenol (PubChem CID 2804985) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1H-indazol-3-yliminomethyl)phenol.

Molecular Properties

Compound Name2-(1H-indazol-3-yliminomethyl)phenol
PubChem CID2804985
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(1H-indazol-3-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1n[nH]c2ccccc12
InChIInChI=1S/C14H11N3O/c18-13-8-4-1-5-10(13)9-15-14-11-6-2-3-7-12(11)16-17-14/h1-9,18H,(H,16,17)/b15-9+
InChIKeyRVSVZIOWJMVPAW-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 2-(1H-indazol-3-yliminomethyl)phenol?
The IUPAC name of 2-(1H-indazol-3-yliminomethyl)phenol (CID 2804985) is 2-(1H-indazol-3-yliminomethyl)phenol.
What is the SMILES notation for 2-(1H-indazol-3-yliminomethyl)phenol?
The canonical SMILES for 2-(1H-indazol-3-yliminomethyl)phenol is Oc1ccccc1/C=N/c1n[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indazol-3-yliminomethyl)phenol?
The InChIKey is RVSVZIOWJMVPAW-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3O/c18-13-8-4-1-5-10(13)9-15-14-11-6-2-3-7-12(11)16-17-14/h1-9,18H,(H,16,17)/b15-9+.
What are the key properties of 2-(1H-indazol-3-yliminomethyl)phenol?
2-(1H-indazol-3-yliminomethyl)phenol 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 2-(1H-indazol-3-yliminomethyl)phenol is sourced from PubChem (CID 2804985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).