4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride

C12H11ClN2O — CID 3058429

IUPAC4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride
SMILESCl.Oc1ccc(/N=C/c2ccncc2)cc1
InChIInChI=1S/C12H10N2O.ClH/c15-12-3-1-11(2-4-12)14-9-10-5-7-13-8-6-10;/h1-9,15H;1H/b14-9+;
InChIKeyBJNUJVOCGNBXNG-KYIGKLDSSA-N
MW234.69 g/mol
LogP2.96
Rot. Bonds2

About 4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride

4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride (PubChem CID 3058429) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride.

Molecular Properties

Compound Name4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride
PubChem CID3058429
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride
SMILESCl.Oc1ccc(/N=C/c2ccncc2)cc1
InChIInChI=1S/C12H10N2O.ClH/c15-12-3-1-11(2-4-12)14-9-10-5-7-13-8-6-10;/h1-9,15H;1H/b14-9+;
InChIKeyBJNUJVOCGNBXNG-KYIGKLDSSA-N
XLogP2.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
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-(pyridin-4-ylmethylideneamino)phenol;hydrochloride?
The IUPAC name of 4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride (CID 3058429) is 4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride.
What is the SMILES notation for 4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride?
The canonical SMILES for 4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride is Cl.Oc1ccc(/N=C/c2ccncc2)cc1.
What is the InChIKey of 4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride?
The InChIKey is BJNUJVOCGNBXNG-KYIGKLDSSA-N. The full InChI is InChI=1S/C12H10N2O.ClH/c15-12-3-1-11(2-4-12)14-9-10-5-7-13-8-6-10;/h1-9,15H;1H/b14-9+;.
What are the key properties of 4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride?
4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride has a molecular weight of 234.69 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethylideneamino)phenol;hydrochloride is sourced from PubChem (CID 3058429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).