2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol

C14H13N3O — CID 135404183

IUPAC2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
SMILESC/C(=N\N=C\c1ccccc1O)c1ccccn1
InChIInChI=1S/C14H13N3O/c1-11(13-7-4-5-9-15-13)17-16-10-12-6-2-3-8-14(12)18/h2-10,18H,1H3/b16-10+,17-11+
InChIKeyRNYYHDCTJUDYPL-OTYYAQKOSA-N
MW239.28 g/mol
LogP2.63
Rot. Bonds3

About 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol

2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol (PubChem CID 135404183) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
PubChem CID135404183
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
SMILESC/C(=N\N=C\c1ccccc1O)c1ccccn1
InChIInChI=1S/C14H13N3O/c1-11(13-7-4-5-9-15-13)17-16-10-12-6-2-3-8-14(12)18/h2-10,18H,1H3/b16-10+,17-11+
InChIKeyRNYYHDCTJUDYPL-OTYYAQKOSA-N
XLogP2.63
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
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'}

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
3-Hydroxyquinoline
CID 11376
Quinolin-5-ol
CID 135441757
Isoquinolin-5-ol
CID 30386
6-Hydroxyquinoline
CID 11374
3-Pyridinol, 5-benzyl-
CID 796726
NoName_714
CID 135489221
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
2-Pyridinealdoxime O-benzyl ether
CID 9562669
Mls002693808
CID 251943
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol (CID 135404183) is 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol is C/C(=N\N=C\c1ccccc1O)c1ccccn1.
What is the InChIKey of 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol?
The InChIKey is RNYYHDCTJUDYPL-OTYYAQKOSA-N. The full InChI is InChI=1S/C14H13N3O/c1-11(13-7-4-5-9-15-13)17-16-10-12-6-2-3-8-14(12)18/h2-10,18H,1H3/b16-10+,17-11+.
What are the key properties of 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol?
2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol has a molecular weight of 239.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135404183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).