2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol

C12H8Br2N2O — CID 135458806

IUPAC2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1ccccn1
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/b16-7+
InChIKeyDMKCSXSPFSKZOB-FRKPEAEDSA-N
MW356.02 g/mol
LogP4.06
Rot. Bonds2

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

2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol (PubChem CID 135458806) has the molecular formula C12H8Br2N2O and a molecular weight of 356.02 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
PubChem CID135458806
Molecular FormulaC12H8Br2N2O
Molecular Weight356.02 g/mol
Exact Mass353.90
IUPAC Name2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1ccccn1
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/b16-7+
InChIKeyDMKCSXSPFSKZOB-FRKPEAEDSA-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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Related Compounds

2,4-diiodo-6-(pyridin-2-yliminomethyl)phenol
CID 3640337
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2,4-dibromo-6-[(E)-1,3-thiazol-2-yliminomethyl]phenol
CID 135688989
4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 137141289
4-fluoro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 135908107
4-bromo-2-[(5-bromo-2-pyridinyl)iminomethyl]naphthalen-1-ol
CID 1204088
2-[(E)-1H-benzimidazol-2-yliminomethyl]-4,6-dibromophenol
CID 139085246
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 135615702
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol (CID 135458806) is 2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/c1ccccn1.
What is the InChIKey of 2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol?
The InChIKey is DMKCSXSPFSKZOB-FRKPEAEDSA-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/b16-7+.
What are the key properties of 2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol?
2,4-dibromo-6-[(E)-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-[(E)-pyridin-2-yliminomethyl]phenol is sourced from PubChem (CID 135458806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).