2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol

C12H8Br2N2O — CID 1241566

IUPAC2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1ccccn1
InChIInChI=1S/C12H8Br2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-7,17H
InChIKeyDMKCSXSPFSKZOB-UHFFFAOYSA-N
MW356.02 g/mol
LogP4.06
Rot. Bonds2

About 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol

2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol (PubChem CID 1241566) has the molecular formula C12H8Br2N2O and a molecular weight of 356.02 g/mol. Its IUPAC name is 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol
PubChem CID1241566
Molecular FormulaC12H8Br2N2O
Molecular Weight356.02 g/mol
Exact Mass353.90
IUPAC Name2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1C=Nc1ccccn1
InChIInChI=1S/C12H8Br2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-7,17H
InChIKeyDMKCSXSPFSKZOB-UHFFFAOYSA-N
XLogP4.06
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.02
LogP ≤ 54.06
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 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol (CID 1241566) is 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol is Oc1c(Br)cc(Br)cc1C=Nc1ccccn1.
What is the InChIKey of 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol?
The InChIKey is DMKCSXSPFSKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-7,17H.
What are the key properties of 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol?
2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol has a molecular weight of 356.02 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(pyridin-2-yliminomethyl)phenol is sourced from PubChem (CID 1241566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).