6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride

C11H11ClN2O — CID 68693984

IUPAC6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride
SMILESCl.[H]/N=C1\C=CC=CC1=C1C=CC=CN1O
InChIInChI=1S/C11H10N2O.ClH/c12-10-6-2-1-5-9(10)11-7-3-4-8-13(11)14;/h1-8,12,14H;1H/b11-9?,12-10+;
InChIKeyDUAYELFRUKLNTM-DHTRHBLWSA-N
MW222.68 g/mol
LogP2.58
Rot. Bonds

About 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride

6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride (PubChem CID 68693984) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride.

Molecular Properties

Compound Name6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride
PubChem CID68693984
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride
SMILESCl.[H]/N=C1\C=CC=CC1=C1C=CC=CN1O
InChIInChI=1S/C11H10N2O.ClH/c12-10-6-2-1-5-9(10)11-7-3-4-8-13(11)14;/h1-8,12,14H;1H/b11-9?,12-10+;
InChIKeyDUAYELFRUKLNTM-DHTRHBLWSA-N
XLogP2.58
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.58
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 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride?
The IUPAC name of 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride (CID 68693984) is 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride.
What is the SMILES notation for 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride?
The canonical SMILES for 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride is Cl.[H]/N=C1\C=CC=CC1=C1C=CC=CN1O.
What is the InChIKey of 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride?
The InChIKey is DUAYELFRUKLNTM-DHTRHBLWSA-N. The full InChI is InChI=1S/C11H10N2O.ClH/c12-10-6-2-1-5-9(10)11-7-3-4-8-13(11)14;/h1-8,12,14H;1H/b11-9?,12-10+;.
What are the key properties of 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride?
6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride has a molecular weight of 222.68 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-imine;hydrochloride is sourced from PubChem (CID 68693984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).