4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol

C14H10BrF2NO — CID 135657334

IUPAC4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccc(F)cc1F
InChIInChI=1S/C14H10BrF2NO/c15-11-2-4-14(19)10(5-11)8-18-7-9-1-3-12(16)6-13(9)17/h1-6,8,19H,7H2/b18-8+
InChIKeyJYXVRZOGPUCQBY-QGMBQPNBSA-N
MW326.14 g/mol
LogP4.05
Rot. Bonds3

About 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol

4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol (PubChem CID 135657334) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
PubChem CID135657334
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Cc1ccc(F)cc1F
InChIInChI=1S/C14H10BrF2NO/c15-11-2-4-14(19)10(5-11)8-18-7-9-1-3-12(16)6-13(9)17/h1-6,8,19H,7H2/b18-8+
InChIKeyJYXVRZOGPUCQBY-QGMBQPNBSA-N
XLogP4.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.05
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-[(2-aminophenyl)methyliminomethyl]-4-bromophenol
CID 139195391
4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol
CID 135758638
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-bromo-2-[[2-[3-[2-[[(5-bromo-2-hydroxyphenyl)methylideneamino]methyl]phenoxy]-2-hydroxypropoxy]phenyl]methyliminomethyl]phenol
CID 139205120
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
CID 871214
2-(1,3-benzodioxol-5-ylmethyliminomethyl)-4-bromophenol
CID 135936264
[(1R)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(3-fluorophenyl)ethyl]-dimethylazanium
CID 135757967
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
4-fluoro-2-(pentyliminomethyl)phenol
CID 144549323
4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol
CID 135629562
N-[(2,4-difluorophenyl)methyl]methanimine
CID 123291562

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol (CID 135657334) is 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol is Oc1ccc(Br)cc1/C=N/Cc1ccc(F)cc1F.
What is the InChIKey of 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol?
The InChIKey is JYXVRZOGPUCQBY-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-11-2-4-14(19)10(5-11)8-18-7-9-1-3-12(16)6-13(9)17/h1-6,8,19H,7H2/b18-8+.
What are the key properties of 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol?
4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol has a molecular weight of 326.14 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol is sourced from PubChem (CID 135657334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).