2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol

C14H12BrClN2O — CID 137224259

IUPAC2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol
SMILESOc1c(Br)cc(Cl)cc1/C=N/CCc1ccccn1
InChIInChI=1S/C14H12BrClN2O/c15-13-8-11(16)7-10(14(13)19)9-17-6-4-12-3-1-2-5-18-12/h1-3,5,7-9,19H,4,6H2/b17-9+
InChIKeyFTYFHBNUMDTKSS-RQZCQDPDSA-N
MW339.62 g/mol
LogP3.86
Rot. Bonds4

About 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol

2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol (PubChem CID 137224259) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol
PubChem CID137224259
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol
SMILESOc1c(Br)cc(Cl)cc1/C=N/CCc1ccccn1
InChIInChI=1S/C14H12BrClN2O/c15-13-8-11(16)7-10(14(13)19)9-17-6-4-12-3-1-2-5-18-12/h1-3,5,7-9,19H,4,6H2/b17-9+
InChIKeyFTYFHBNUMDTKSS-RQZCQDPDSA-N
XLogP3.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.86
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 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol?
The IUPAC name of 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol (CID 137224259) is 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol?
The canonical SMILES for 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol is Oc1c(Br)cc(Cl)cc1/C=N/CCc1ccccn1.
What is the InChIKey of 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol?
The InChIKey is FTYFHBNUMDTKSS-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-13-8-11(16)7-10(14(13)19)9-17-6-4-12-3-1-2-5-18-12/h1-3,5,7-9,19H,4,6H2/b17-9+.
What are the key properties of 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol?
2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol has a molecular weight of 339.62 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-(2-pyridin-2-ylethyliminomethyl)phenol is sourced from PubChem (CID 137224259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).