2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol

C14H16N3O2+ — CID 137279180

IUPAC2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2cc[n+](C)cc2)c1O
InChIInChI=1S/C14H15N3O2/c1-17-8-6-12(7-9-17)16-15-10-11-4-3-5-13(19-2)14(11)18/h3-10H,1-2H3,(H,15,18)/p+1
InChIKeyNETDYSOYSNWLQP-UHFFFAOYSA-O
MW258.30 g/mol
LogP1.67
Rot. Bonds4

About 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol

2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 137279180) has the molecular formula C14H16N3O2+ and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol
PubChem CID137279180
Molecular FormulaC14H16N3O2+
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(/C=N/Nc2cc[n+](C)cc2)c1O
InChIInChI=1S/C14H15N3O2/c1-17-8-6-12(7-9-17)16-15-10-11-4-3-5-13(19-2)14(11)18/h3-10H,1-2H3,(H,15,18)/p+1
InChIKeyNETDYSOYSNWLQP-UHFFFAOYSA-O
XLogP1.67
TPSA57.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
2-methoxy-6-(methoxyiminomethyl)phenol
CID 530390
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135567955
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol (CID 137279180) is 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol is COc1cccc(/C=N/Nc2cc[n+](C)cc2)c1O.
What is the InChIKey of 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is NETDYSOYSNWLQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N3O2/c1-17-8-6-12(7-9-17)16-15-10-11-4-3-5-13(19-2)14(11)18/h3-10H,1-2H3,(H,15,18)/p+1.
What are the key properties of 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol?
2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 258.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137279180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).