4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine

C11H10N2O — CID 3723025

IUPAC4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=C2C=CC=CN2O)C=C1
InChIInChI=1S/C11H10N2O/c12-10-6-4-9(5-7-10)11-3-1-2-8-13(11)14/h1-8,12,14H/b11-9-,12-10+
InChIKeyGHLHHCXJWGKZSH-DSOJMZEYSA-N
MW186.21 g/mol
LogP2.16
Rot. Bonds

About 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine

4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine (PubChem CID 3723025) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine
PubChem CID3723025
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=C2C=CC=CN2O)C=C1
InChIInChI=1S/C11H10N2O/c12-10-6-4-9(5-7-10)11-3-1-2-8-13(11)14/h1-8,12,14H/b11-9-,12-10+
InChIKeyGHLHHCXJWGKZSH-DSOJMZEYSA-N
XLogP2.16
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine?
The IUPAC name of 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine (CID 3723025) is 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine?
The canonical SMILES for 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine is [H]N=C1C=CC(=C2C=CC=CN2O)C=C1.
What is the InChIKey of 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine?
The InChIKey is GHLHHCXJWGKZSH-DSOJMZEYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-10-6-4-9(5-7-10)11-3-1-2-8-13(11)14/h1-8,12,14H/b11-9-,12-10+.
What are the key properties of 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine?
4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine has a molecular weight of 186.21 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-pyridinylidene)cyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 3723025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).