2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol

C12H8Br2N2O — CID 3984426

IUPAC2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccnc1
InChIInChI=1S/C12H8Br2N2O/c13-9-4-8(12(17)11(14)5-9)6-16-10-2-1-3-15-7-10/h1-7,17H/b16-6+
InChIKeyUPUCMBYGXHVCQK-OMCISZLKSA-N
MW356.02 g/mol
LogP4.06
Rot. Bonds2

About 2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol

2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol (PubChem CID 3984426) has the molecular formula C12H8Br2N2O and a molecular weight of 356.02 g/mol. Its IUPAC name is 2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol
PubChem CID3984426
Molecular FormulaC12H8Br2N2O
Molecular Weight356.02 g/mol
Exact Mass353.90
IUPAC Name2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1cccnc1
InChIInChI=1S/C12H8Br2N2O/c13-9-4-8(12(17)11(14)5-9)6-16-10-2-1-3-15-7-10/h1-7,17H/b16-6+
InChIKeyUPUCMBYGXHVCQK-OMCISZLKSA-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-Dibromo-6-[(quinolin-8-ylamino)methyl]phenol
CID 1994749
2,4-Dibromo-6-[(2-pyridylimino)methyl]phenol
CID 1241566
2,4-Dibromo-6-[(quinolin-3-ylamino)methyl]phenol
CID 1989794
4-Bromo-2-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 5008754
2-[(E)-2-(5-bromo-2-hydroxyphenyl)vinyl]-1-methylpyridinium
CID 24761569
Alpha-(3-pyridylamino)-O-cresol
CID 853646
2,4-Dibromo-6-(pyridin-2-yliminomethyl)-phenol
CID 135458806
2,4-Dibromo-6-[(5-quinolinylimino)methyl]phenol
CID 1239983
2,4-Dibromo-6-[(pyridin-2-ylamino)methyl]phenol
CID 1865850
4-Bromo-2-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
CID 54581977
4-Bromo-6-{[(2-{[2-(pyridin-2-YL)ethyl]sulfanyl}ethyl)amino]methylidene}cyclohexa-2,4-dien-1-one
CID 135888981
4-Bromo-6-({[2-(pyridin-2-yl)ethyl]amino}methylidene)cyclohexa-2,4-dien-1-one
CID 136234177

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol (CID 3984426) is 2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol is Oc1c(Br)cc(Br)cc1/C=N/c1cccnc1.
What is the InChIKey of 2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol?
The InChIKey is UPUCMBYGXHVCQK-OMCISZLKSA-N. The full InChI is InChI=1S/C12H8Br2N2O/c13-9-4-8(12(17)11(14)5-9)6-16-10-2-1-3-15-7-10/h1-7,17H/b16-6+.
What are the key properties of 2,4-dibromo-6-(pyridin-3-yliminomethyl)phenol?
2,4-dibromo-6-(pyridin-3-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-3-yliminomethyl)phenol is sourced from PubChem (CID 3984426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).