2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol

C15H13N3O2 — CID 795038

IUPAC2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H13N3O2/c1-20-14-4-2-3-10(15(14)19)8-16-12-5-6-13-11(7-12)9-17-18-13/h2-9,19H,1H3,(H,17,18)/b16-8+
InChIKeySJLKEIGWJDJVAF-LZYBPNLTSA-N
MW267.29 g/mol
LogP3.03
Rot. Bonds3

About 2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol

2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol (PubChem CID 795038) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
PubChem CID795038
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H13N3O2/c1-20-14-4-2-3-10(15(14)19)8-16-12-5-6-13-11(7-12)9-17-18-13/h2-9,19H,1H3,(H,17,18)/b16-8+
InChIKeySJLKEIGWJDJVAF-LZYBPNLTSA-N
XLogP3.03
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5-yliminomethyl)-6-methoxyphenol?
The IUPAC name of 2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol (CID 795038) is 2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol?
The canonical SMILES for 2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol is COc1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O.
What is the InChIKey of 2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol?
The InChIKey is SJLKEIGWJDJVAF-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-4-2-3-10(15(14)19)8-16-12-5-6-13-11(7-12)9-17-18-13/h2-9,19H,1H3,(H,17,18)/b16-8+.
What are the key properties of 2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol?
2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol has a molecular weight of 267.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol is sourced from PubChem (CID 795038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).