4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol

C12H8BrClN2O — CID 136632126

IUPAC4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cccnc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-9-3-4-11(17)8(6-9)7-16-10-2-1-5-15-12(10)14/h1-7,17H/b16-7+
InChIKeyNIBJEXGWLAFRMY-FRKPEAEDSA-N
MW311.57 g/mol
LogP3.95
Rot. Bonds2

About 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol

4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol (PubChem CID 136632126) has the molecular formula C12H8BrClN2O and a molecular weight of 311.57 g/mol. Its IUPAC name is 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol
PubChem CID136632126
Molecular FormulaC12H8BrClN2O
Molecular Weight311.57 g/mol
Exact Mass309.95
IUPAC Name4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cccnc1Cl
InChIInChI=1S/C12H8BrClN2O/c13-9-3-4-11(17)8(6-9)7-16-10-2-1-5-15-12(10)14/h1-7,17H/b16-7+
InChIKeyNIBJEXGWLAFRMY-FRKPEAEDSA-N
XLogP3.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-6-[(Z)-(pyridin-3-ylimino)methyl]phenol
CID 3984426
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
2-[(2-Chloro-3-pyridinyl)iminomethyl]-5-(diethylamino)phenol
CID 2346694
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
2-((e)-(2-(Pyridin-2-yl)ethylimino)methyl)-6-bromo-4-chlorophenol
CID 137224259
2-[(3-Pyridylimino)methyl]phenol
CID 279907
4-Bromo-2-[(2-pyridinylimino)methyl]phenol
CID 710357
35Cl-3SAP
CID 696544
Phenol, 4-bromo-2-[(E)-((5-methyl-2-pyridinyl)imino)methyl]-
CID 871045

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol (CID 136632126) is 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1cccnc1Cl.
What is the InChIKey of 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol?
The InChIKey is NIBJEXGWLAFRMY-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H8BrClN2O/c13-9-3-4-11(17)8(6-9)7-16-10-2-1-5-15-12(10)14/h1-7,17H/b16-7+.
What are the key properties of 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol?
4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol has a molecular weight of 311.57 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-chloro-3-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 136632126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).