4-bromo-2-(pyridin-4-yliminomethyl)phenol

C12H9BrN2O — CID 872793

IUPAC4-bromo-2-(pyridin-4-yliminomethyl)phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccncc1
InChIInChI=1S/C12H9BrN2O/c13-10-1-2-12(16)9(7-10)8-15-11-3-5-14-6-4-11/h1-8,16H/b15-8+
InChIKeyGYHMNFYAYJRJJU-OVCLIPMQSA-N
MW277.12 g/mol
LogP3.30
Rot. Bonds2

About 4-bromo-2-(pyridin-4-yliminomethyl)phenol

4-bromo-2-(pyridin-4-yliminomethyl)phenol (PubChem CID 872793) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 4-bromo-2-(pyridin-4-yliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(pyridin-4-yliminomethyl)phenol
PubChem CID872793
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name4-bromo-2-(pyridin-4-yliminomethyl)phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccncc1
InChIInChI=1S/C12H9BrN2O/c13-10-1-2-12(16)9(7-10)8-15-11-3-5-14-6-4-11/h1-8,16H/b15-8+
InChIKeyGYHMNFYAYJRJJU-OVCLIPMQSA-N
XLogP3.30
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.30
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-bromo-2-(pyridin-4-yliminomethyl)phenol?
The IUPAC name of 4-bromo-2-(pyridin-4-yliminomethyl)phenol (CID 872793) is 4-bromo-2-(pyridin-4-yliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-(pyridin-4-yliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-(pyridin-4-yliminomethyl)phenol is Oc1ccc(Br)cc1/C=N/c1ccncc1.
What is the InChIKey of 4-bromo-2-(pyridin-4-yliminomethyl)phenol?
The InChIKey is GYHMNFYAYJRJJU-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-10-1-2-12(16)9(7-10)8-15-11-3-5-14-6-4-11/h1-8,16H/b15-8+.
What are the key properties of 4-bromo-2-(pyridin-4-yliminomethyl)phenol?
4-bromo-2-(pyridin-4-yliminomethyl)phenol has a molecular weight of 277.12 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(pyridin-4-yliminomethyl)phenol is sourced from PubChem (CID 872793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).