2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol

C13H8Br2FNO — CID 1286581

IUPAC2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1ccccc1F
InChIInChI=1S/C13H8Br2FNO/c14-9-5-8(13(18)10(15)6-9)7-17-12-4-2-1-3-11(12)16/h1-7,18H/b17-7+
InChIKeyIOKYAHYBFWEYLH-REZTVBANSA-N
MW373.02 g/mol
LogP4.81
Rot. Bonds2

About 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol

2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol (PubChem CID 1286581) has the molecular formula C13H8Br2FNO and a molecular weight of 373.02 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol
PubChem CID1286581
Molecular FormulaC13H8Br2FNO
Molecular Weight373.02 g/mol
Exact Mass370.90
IUPAC Name2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1ccccc1F
InChIInChI=1S/C13H8Br2FNO/c14-9-5-8(13(18)10(15)6-9)7-17-12-4-2-1-3-11(12)16/h1-7,18H/b17-7+
InChIKeyIOKYAHYBFWEYLH-REZTVBANSA-N
XLogP4.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.02
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(((4-Bromophenyl)imino)methyl)phenol
CID 13448
4-Bromo-2-{[(4-chlorophenyl)imino]methyl}phenol
CID 305082
3-Fluoro-N-(2-hydroxybenzylidene)aniline
CID 3827791
4-((3,5-Dibromo-2-hydroxy-benzylidene)-amino)-benzenesulfonamide
CID 1286583
4-bromo-2-{(E)-[(2-fluorophenyl)imino]methyl}phenol
CID 710140
Alpha-(2-fluorophenylimino)-O-cresol
CID 3588230
N-(5-Bromo-2-hydroxybenzylidene)-2-hydroxyaniline
CID 352427
Bis(4-bromo-2-((phenylimino)methyl)phenolate)-oxovanadium(IV) (4)
CID 136351660
2-Allyl-6-{[(2-bromo-4-methylphenyl)imino]methyl}phenol
CID 904089
2-[(Benzylimino)methyl]-4,6-dibromobenzenol
CID 1241574
2,4-Dibromo-6-{[(4-fluorobenzyl)imino]methyl}benzenol
CID 1482590
3,5-Dibromo-2-hydroxybenzaldehyde methyl(phenyl)hydrazone
CID 135458878

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol (CID 1286581) is 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1F.
What is the InChIKey of 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol?
The InChIKey is IOKYAHYBFWEYLH-REZTVBANSA-N. The full InChI is InChI=1S/C13H8Br2FNO/c14-9-5-8(13(18)10(15)6-9)7-17-12-4-2-1-3-11(12)16/h1-7,18H/b17-7+.
What are the key properties of 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol?
2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol has a molecular weight of 373.02 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(2-fluorophenyl)iminomethyl]phenol is sourced from PubChem (CID 1286581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).