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

C13H13N3O2 — CID 3709889

IUPAC2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(C=NNc2ccccn2)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)
InChIKeyJUQCGNZHCKCJLH-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.24
Rot. Bonds4

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

2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 3709889) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID3709889
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(C=NNc2ccccn2)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)
InChIKeyJUQCGNZHCKCJLH-UHFFFAOYSA-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

2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
2-methoxy-6-prop-2-enyl-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 136704845
2-methoxy-4-[(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 2789383
5-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2788039
N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4235681
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110505665
2-methoxy-4-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411435
4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135489944
4-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 2861744
6-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 136914122
2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136910758

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 3709889) is 2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol is COc1cc(C=NNc2ccccn2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is JUQCGNZHCKCJLH-UHFFFAOYSA-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).
What are the key properties of 2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol?
2-methoxy-4-[(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-[(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 3709889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).