2,4-dibromo-6-(cyclopropyliminomethyl)phenol

C10H9Br2NO — CID 4849185

IUPAC2,4-dibromo-6-(cyclopropyliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/C1CC1
InChIInChI=1S/C10H9Br2NO/c11-7-3-6(5-13-8-1-2-8)10(14)9(12)4-7/h3-5,8,14H,1-2H2/b13-5+
InChIKeyIOVFQGGCRIAERU-WLRTZDKTSA-N
MW319.00 g/mol
LogP3.50
Rot. Bonds2

About 2,4-dibromo-6-(cyclopropyliminomethyl)phenol

2,4-dibromo-6-(cyclopropyliminomethyl)phenol (PubChem CID 4849185) has the molecular formula C10H9Br2NO and a molecular weight of 319.00 g/mol. Its IUPAC name is 2,4-dibromo-6-(cyclopropyliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(cyclopropyliminomethyl)phenol
PubChem CID4849185
Molecular FormulaC10H9Br2NO
Molecular Weight319.00 g/mol
Exact Mass316.91
IUPAC Name2,4-dibromo-6-(cyclopropyliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/C1CC1
InChIInChI=1S/C10H9Br2NO/c11-7-3-6(5-13-8-1-2-8)10(14)9(12)4-7/h3-5,8,14H,1-2H2/b13-5+
InChIKeyIOVFQGGCRIAERU-WLRTZDKTSA-N
XLogP3.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,4-dibromo-6-(cyclopropyliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(cyclopropyliminomethyl)phenol (CID 4849185) is 2,4-dibromo-6-(cyclopropyliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(cyclopropyliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(cyclopropyliminomethyl)phenol is Oc1c(Br)cc(Br)cc1/C=N/C1CC1.
What is the InChIKey of 2,4-dibromo-6-(cyclopropyliminomethyl)phenol?
The InChIKey is IOVFQGGCRIAERU-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H9Br2NO/c11-7-3-6(5-13-8-1-2-8)10(14)9(12)4-7/h3-5,8,14H,1-2H2/b13-5+.
What are the key properties of 2,4-dibromo-6-(cyclopropyliminomethyl)phenol?
2,4-dibromo-6-(cyclopropyliminomethyl)phenol has a molecular weight of 319.00 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(cyclopropyliminomethyl)phenol is sourced from PubChem (CID 4849185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).