4-bromo-2-(pyridin-2-yliminomethyl)phenol

C12H9BrN2O — CID 710357

IUPAC4-bromo-2-(pyridin-2-yliminomethyl)phenol
SMILESOc1ccc(Br)cc1C=Nc1ccccn1
InChIInChI=1S/C12H9BrN2O/c13-10-4-5-11(16)9(7-10)8-15-12-3-1-2-6-14-12/h1-8,16H
InChIKeyRXKWERDYZGNGDB-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.30
Rot. Bonds2

About 4-bromo-2-(pyridin-2-yliminomethyl)phenol

4-bromo-2-(pyridin-2-yliminomethyl)phenol (PubChem CID 710357) has the molecular formula C12H9BrN2O and a molecular weight of 277.12 g/mol. Its IUPAC name is 4-bromo-2-(pyridin-2-yliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(pyridin-2-yliminomethyl)phenol
PubChem CID710357
Molecular FormulaC12H9BrN2O
Molecular Weight277.12 g/mol
Exact Mass275.99
IUPAC Name4-bromo-2-(pyridin-2-yliminomethyl)phenol
SMILESOc1ccc(Br)cc1C=Nc1ccccn1
InChIInChI=1S/C12H9BrN2O/c13-10-4-5-11(16)9(7-10)8-15-12-3-1-2-6-14-12/h1-8,16H
InChIKeyRXKWERDYZGNGDB-UHFFFAOYSA-N
XLogP3.30
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.30
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-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
5-Bromo-2-hydroxybenzaldehyde 2-pyridinylhydrazone
CID 135453955
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
4-Bromo-2-(pyridin-2-ylaminomethyl)-phenol
CID 951491
1-(5-Bromo-2-pyridyl)-3-[2-(4-hydroxyphenyl)ethyl]thiourea
CID 3002300
2-(Pyridin-2-ylaminomethyl)-phenol
CID 950738
2-((E)-(2-Pyridinylimino)methyl)phenol
CID 135439975
Alpha-(6-methyl-2-pyridylimino)-O-cresol
CID 135421635
2,4-Dibromo-6-[(2-pyridylimino)methyl]phenol
CID 1241566
2-{[(3-Methylpyridin-2-yl)amino]methyl}phenol
CID 4167622
2-{[(5-Bromo-2-pyridinyl)amino]methyl}-4-chlorophenol
CID 888841
2-(((5-Bromopyridin-2-yl)amino)methyl)phenol
CID 951194

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(pyridin-2-yliminomethyl)phenol?
The IUPAC name of 4-bromo-2-(pyridin-2-yliminomethyl)phenol (CID 710357) is 4-bromo-2-(pyridin-2-yliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-(pyridin-2-yliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-(pyridin-2-yliminomethyl)phenol is Oc1ccc(Br)cc1C=Nc1ccccn1.
What is the InChIKey of 4-bromo-2-(pyridin-2-yliminomethyl)phenol?
The InChIKey is RXKWERDYZGNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O/c13-10-4-5-11(16)9(7-10)8-15-12-3-1-2-6-14-12/h1-8,16H.
What are the key properties of 4-bromo-2-(pyridin-2-yliminomethyl)phenol?
4-bromo-2-(pyridin-2-yliminomethyl)phenol has a molecular weight of 277.12 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(pyridin-2-yliminomethyl)phenol is sourced from PubChem (CID 710357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).