2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

C13H13N3O2 — CID 135650540

IUPAC2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccn2)ccc1O
InChIInChI=1S/C13H13N3O2/c1-18-12-8-10(5-6-11(12)17)9-15-16-13-4-2-3-7-14-13/h2-9,17H,1H3,(H,14,16)/b15-9+
InChIKeyJUQCGNZHCKCJLH-OQLLNIDSSA-N
MW243.27 g/mol
LogP2.24
Rot. Bonds4

About 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135650540) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135650540
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccn2)ccc1O
InChIInChI=1S/C13H13N3O2/c1-18-12-8-10(5-6-11(12)17)9-15-16-13-4-2-3-7-14-13/h2-9,17H,1H3,(H,14,16)/b15-9+
InChIKeyJUQCGNZHCKCJLH-OQLLNIDSSA-N
XLogP2.24
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
m-Anisaldehyde, 2-hydroxy-, (5-nitro-2-pyridyl)hydrazone
CID 135473369
2-Methoxy-6-[(pyridin-2-ylamino)methyl]phenol
CID 853803
2-(2-(3,4-Dimethoxybenzylidene)hydrazineyl)pyridine
CID 9566754
4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135519914
2-Methoxy-6-(((4-methylpyridin-2-yl)amino)methyl)phenol
CID 853804
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(pyridin-2-yl)prop-2-enamide
CID 2544799
2,4-Dimethoxybenzaldehyde 2-pyridinylhydrazone
CID 5724077
N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine
CID 9627014
N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridin-2-amine
CID 9657128
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 9676245
N-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine
CID 9684264

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 135650540) is 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is COc1cc(/C=N/Nc2ccccn2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is JUQCGNZHCKCJLH-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-12-8-10(5-6-11(12)17)9-15-16-13-4-2-3-7-14-13/h2-9,17H,1H3,(H,14,16)/b15-9+.
What are the key properties of 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 243.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135650540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).