2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol

C9H9BrClNO2 — CID 137256698

IUPAC2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol
SMILESOCC/N=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C9H9BrClNO2/c10-8-4-7(11)3-6(9(8)14)5-12-1-2-13/h3-5,13-14H,1-2H2/b12-5+
InChIKeyRNOGATCXAFRIDN-LFYBBSHMSA-N
MW278.53 g/mol
LogP2.22
Rot. Bonds3

About 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol

2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol (PubChem CID 137256698) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol
PubChem CID137256698
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Name2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol
SMILESOCC/N=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C9H9BrClNO2/c10-8-4-7(11)3-6(9(8)14)5-12-1-2-13/h3-5,13-14H,1-2H2/b12-5+
InChIKeyRNOGATCXAFRIDN-LFYBBSHMSA-N
XLogP2.22
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.22
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 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol?
The IUPAC name of 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol (CID 137256698) is 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol?
The canonical SMILES for 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol is OCC/N=C/c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol?
The InChIKey is RNOGATCXAFRIDN-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c10-8-4-7(11)3-6(9(8)14)5-12-1-2-13/h3-5,13-14H,1-2H2/b12-5+.
What are the key properties of 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol?
2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol has a molecular weight of 278.53 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-(2-hydroxyethyliminomethyl)phenol is sourced from PubChem (CID 137256698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).