2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol

C18H14N4O2 — CID 135912097

IUPAC2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol
SMILESOc1cccnc1/N=C/c1ccccc1/C=N/c1ncccc1O
InChIInChI=1S/C18H14N4O2/c23-15-7-3-9-19-17(15)21-11-13-5-1-2-6-14(13)12-22-18-16(24)8-4-10-20-18/h1-12,23-24H/b21-11+,22-12+
InChIKeyLPXGDZLTYZTSQD-XHQRYOPUSA-N
MW318.34 g/mol
LogP3.39
Rot. Bonds4

About 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol

2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol (PubChem CID 135912097) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol.

Molecular Properties

Compound Name2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol
PubChem CID135912097
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol
SMILESOc1cccnc1/N=C/c1ccccc1/C=N/c1ncccc1O
InChIInChI=1S/C18H14N4O2/c23-15-7-3-9-19-17(15)21-11-13-5-1-2-6-14(13)12-22-18-16(24)8-4-10-20-18/h1-12,23-24H/b21-11+,22-12+
InChIKeyLPXGDZLTYZTSQD-XHQRYOPUSA-N
XLogP3.39
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.39
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

2-[(E)-(3-hydroxy-2-pyridinyl)diazenyl]pyridin-3-ol
CID 137201296
2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol
CID 135478369
N'-(3-hydroxy-2-pyridinyl)-N,N-di(propan-2-yl)methanimidamide
CID 142635007
2-methoxy-6-[(3-methyl-2-pyridinyl)iminomethyl]phenol
CID 564866
copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)
CID 137200643
N'-(3-hydroxy-2-pyridinyl)ethanimidamide
CID 10351864
4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 137141289
1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 135459002
7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one
CID 155294759
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol?
The IUPAC name of 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol (CID 135912097) is 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol.
What is the SMILES notation for 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol?
The canonical SMILES for 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol is Oc1cccnc1/N=C/c1ccccc1/C=N/c1ncccc1O.
What is the InChIKey of 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol?
The InChIKey is LPXGDZLTYZTSQD-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-15-7-3-9-19-17(15)21-11-13-5-1-2-6-14(13)12-22-18-16(24)8-4-10-20-18/h1-12,23-24H/b21-11+,22-12+.
What are the key properties of 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol?
2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol has a molecular weight of 318.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol is sourced from PubChem (CID 135912097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).