2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol

C15H12N4O3 — CID 138517634

IUPAC2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol
SMILESCOc1cc(N=O)cc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H12N4O3/c1-22-14-6-12(19-21)5-10(15(14)20)7-16-11-2-3-13-9(4-11)8-17-18-13/h2-8,20H,1H3,(H,17,18)/b16-7+
InChIKeyTTWAITFFOOBVSJ-FRKPEAEDSA-N
MW296.29 g/mol
LogP3.43
Rot. Bonds4

About 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol

2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol (PubChem CID 138517634) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol.

Molecular Properties

Compound Name2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol
PubChem CID138517634
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol
SMILESCOc1cc(N=O)cc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H12N4O3/c1-22-14-6-12(19-21)5-10(15(14)20)7-16-11-2-3-13-9(4-11)8-17-18-13/h2-8,20H,1H3,(H,17,18)/b16-7+
InChIKeyTTWAITFFOOBVSJ-FRKPEAEDSA-N
XLogP3.43
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dimethoxy-1H-indazole
CID 19839198
4-(1H-indazol-6-yl)-2-methoxyphenol
CID 142654165
N-(4,5-dimethoxy-2-nitrobenzyl)-1H-indazol-5-amine
CID 784047
2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
CID 795038
5-methoxy-1H-indazol-6-ol
CID 136270130
2-[(E)-(1H-indazol-5-ylimino)methyl]-6-methoxy-4-nitrophenol
CID 3116012
2-ethoxy-6-[(1H-indazol-5-ylimino)methyl]phenol
CID 795030
4-bromo-2-[(E)-(1H-indazol-5-ylimino)methyl]-6-methoxyphenol
CID 795041
4-chloro-2-[(1H-indazol-5-ylimino)methyl]-6-methoxyphenol
CID 795043
1-(4,5-dimethoxy-2-nitrophenyl)-N-(1H-indazol-5-yl)methanimine
CID 804340
2-[(Z)-(1H-indazol-5-ylimino)methyl]-4-nitrophenol
CID 3110766
2-ethoxy-4-nitro-6-[(1H-indazol-5-ylimino)methyl]phenol
CID 3116011

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol?
The IUPAC name of 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol (CID 138517634) is 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol.
What is the SMILES notation for 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol?
The canonical SMILES for 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol is COc1cc(N=O)cc(/C=N/c2ccc3[nH]ncc3c2)c1O.
What is the InChIKey of 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol?
The InChIKey is TTWAITFFOOBVSJ-FRKPEAEDSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-14-6-12(19-21)5-10(15(14)20)7-16-11-2-3-13-9(4-11)8-17-18-13/h2-8,20H,1H3,(H,17,18)/b16-7+.
What are the key properties of 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol?
2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol has a molecular weight of 296.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol is sourced from PubChem (CID 138517634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).