2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol

C14H14N2O2 — CID 136738932

IUPAC2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(/C=N/CCc2ccccn2)c1
InChIInChI=1S/C14H14N2O2/c17-13-4-5-14(18)11(9-13)10-15-8-6-12-3-1-2-7-16-12/h1-5,7,9-10,17-18H,6,8H2/b15-10+
InChIKeyMTPJXNUALNKLPQ-XNTDXEJSSA-N
MW242.28 g/mol
LogP2.15
Rot. Bonds4

About 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol

2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol (PubChem CID 136738932) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
PubChem CID136738932
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol
SMILESOc1ccc(O)c(/C=N/CCc2ccccn2)c1
InChIInChI=1S/C14H14N2O2/c17-13-4-5-14(18)11(9-13)10-15-8-6-12-3-1-2-7-16-12/h1-5,7,9-10,17-18H,6,8H2/b15-10+
InChIKeyMTPJXNUALNKLPQ-XNTDXEJSSA-N
XLogP2.15
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
CID 136832873
nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
CID 3688663
4-propan-2-yl-2,6-bis(2-pyridin-2-ylethyliminomethyl)phenol
CID 139174160
benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol
CID 171438202
N-(2-pyridin-2-ylethyl)-1-[3-(2-pyridin-2-ylethyliminomethyl)-1H-pyrazol-5-yl]methanimine
CID 136836155
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-(2-aminoethylamino)ethyliminomethyl]benzene-1,4-diol
CID 136801162
1-(1-methyltriazol-4-yl)-N-(2-pyridin-2-ylethyl)methanimine
CID 132512945
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
2-[(E)-hydroxyiminomethyl]benzene-1,4-diol
CID 135483979

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol?
The IUPAC name of 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol (CID 136738932) is 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol.
What is the SMILES notation for 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol?
The canonical SMILES for 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol is Oc1ccc(O)c(/C=N/CCc2ccccn2)c1.
What is the InChIKey of 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol?
The InChIKey is MTPJXNUALNKLPQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-4-5-14(18)11(9-13)10-15-8-6-12-3-1-2-7-16-12/h1-5,7,9-10,17-18H,6,8H2/b15-10+.
What are the key properties of 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol?
2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol has a molecular weight of 242.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethyliminomethyl)benzene-1,4-diol is sourced from PubChem (CID 136738932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).