4-(1-pyridin-4-ylethylideneamino)phenol

C26H24N4O2 — CID 139194349

IUPAC4-(1-pyridin-4-ylethylideneamino)phenol
SMILESC/C(=N\c1ccc(O)cc1)c1ccncc1.C/C(=N\c1ccc(O)cc1)c1ccncc1
InChIInChI=1S/2C13H12N2O/c2*1-10(11-6-8-14-9-7-11)15-12-2-4-13(16)5-3-12/h2*2-9,16H,1H3/b2*15-10+
InChIKeyJMQBWJFPIJAYMP-WFEYDAHMSA-N
MW424.50 g/mol
LogP5.86
Rot. Bonds4

About 4-(1-pyridin-4-ylethylideneamino)phenol

4-(1-pyridin-4-ylethylideneamino)phenol (PubChem CID 139194349) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(1-pyridin-4-ylethylideneamino)phenol.

Molecular Properties

Compound Name4-(1-pyridin-4-ylethylideneamino)phenol
PubChem CID139194349
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-(1-pyridin-4-ylethylideneamino)phenol
SMILESC/C(=N\c1ccc(O)cc1)c1ccncc1.C/C(=N\c1ccc(O)cc1)c1ccncc1
InChIInChI=1S/2C13H12N2O/c2*1-10(11-6-8-14-9-7-11)15-12-2-4-13(16)5-3-12/h2*2-9,16H,1H3/b2*15-10+
InChIKeyJMQBWJFPIJAYMP-WFEYDAHMSA-N
XLogP5.86
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.86
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

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-(4-Hydroxybenzylidene)anabaseine
CID 135530053
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
4-[3-[(3R,4R)-3-ethyl-1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]propyl]quinolin-6-ol
CID 44534572
2,2,4-Trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol
CID 45484267
3-(3-Hydroxybenzylidene)anabaseine
CID 46702877
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol
CID 73345796
5-[(6-Phenyl-3-pyridinyl)methyl]pyridin-3-ol
CID 73350707
3-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091038
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-4-ylethylideneamino)phenol?
The IUPAC name of 4-(1-pyridin-4-ylethylideneamino)phenol (CID 139194349) is 4-(1-pyridin-4-ylethylideneamino)phenol.
What is the SMILES notation for 4-(1-pyridin-4-ylethylideneamino)phenol?
The canonical SMILES for 4-(1-pyridin-4-ylethylideneamino)phenol is C/C(=N\c1ccc(O)cc1)c1ccncc1.C/C(=N\c1ccc(O)cc1)c1ccncc1.
What is the InChIKey of 4-(1-pyridin-4-ylethylideneamino)phenol?
The InChIKey is JMQBWJFPIJAYMP-WFEYDAHMSA-N. The full InChI is InChI=1S/2C13H12N2O/c2*1-10(11-6-8-14-9-7-11)15-12-2-4-13(16)5-3-12/h2*2-9,16H,1H3/b2*15-10+.
What are the key properties of 4-(1-pyridin-4-ylethylideneamino)phenol?
4-(1-pyridin-4-ylethylideneamino)phenol has a molecular weight of 424.50 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridin-4-ylethylideneamino)phenol is sourced from PubChem (CID 139194349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).