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

C15H13N3O2 — CID 795042

IUPAC2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol
SMILESCOc1ccc(/C=N/c2ccc3[nH]ncc3c2)c(O)c1
InChIInChI=1S/C15H13N3O2/c1-20-13-4-2-10(15(19)7-13)8-16-12-3-5-14-11(6-12)9-17-18-14/h2-9,19H,1H3,(H,17,18)/b16-8+
InChIKeyMKWJEACOGUULPU-LZYBPNLTSA-N
MW267.29 g/mol
LogP3.03
Rot. Bonds3

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

2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol (PubChem CID 795042) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol
PubChem CID795042
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol
SMILESCOc1ccc(/C=N/c2ccc3[nH]ncc3c2)c(O)c1
InChIInChI=1S/C15H13N3O2/c1-20-13-4-2-10(15(19)7-13)8-16-12-3-5-14-11(6-12)9-17-18-14/h2-9,19H,1H3,(H,17,18)/b16-8+
InChIKeyMKWJEACOGUULPU-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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Related Compounds

2-[(1H-indazol-5-ylimino)methyl]-4-methylphenol
CID 795025
5-Methoxy-2-(1H-pyrazol-5-yl)phenol
CID 745280
6-(4-methoxyphenyl)-1H-indazole
CID 72923141
4-(3,4,5-trimethoxyphenyl)-1H-indazole
CID 157013232
5-Methoxy-2-(4-phenyl-1H-pyrazol-3-YL)phenol
CID 764769
2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
CID 795038
2-[(1H-indazol-5-ylimino)methyl]-6-methylphenol
CID 795029
(2S)-3-[[6-(2,4-difluorophenoxy)-1H-indazol-4-yl]oxy]propane-1,2-diol
CID 57886808
3-[6-(2,4-difluoro-phenoxy)-1H-indazol-4-yloxy]-propane-1,2-diol
CID 68819211
[4-methoxy-3-[6-(trifluoromethyl)-1H-indazol-4-yl]phenyl]methanol
CID 89783146
6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-indazole
CID 118893630
6-(2-fluoro-3,5-dimethoxyphenyl)-1H-indazole
CID 118893704

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol?
The IUPAC name of 2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol (CID 795042) is 2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol.
What is the SMILES notation for 2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol?
The canonical SMILES for 2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol is COc1ccc(/C=N/c2ccc3[nH]ncc3c2)c(O)c1.
What is the InChIKey of 2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol?
The InChIKey is MKWJEACOGUULPU-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-13-4-2-10(15(19)7-13)8-16-12-3-5-14-11(6-12)9-17-18-14/h2-9,19H,1H3,(H,17,18)/b16-8+.
What are the key properties of 2-(1H-indazol-5-yliminomethyl)-5-methoxyphenol?
2-(1H-indazol-5-yliminomethyl)-5-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)-5-methoxyphenol is sourced from PubChem (CID 795042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).