4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol

C13H7BrCl2FNO — CID 171980806

IUPAC4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol
SMILESOc1c(Cl)cc(Br)cc1/C=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7BrCl2FNO/c14-8-3-7(13(19)11(16)4-8)6-18-9-1-2-12(17)10(15)5-9/h1-6,19H/b18-6+
InChIKeyGXGIBZLUKHDPFT-NGYBGAFCSA-N
MW363.01 g/mol
LogP5.35
Rot. Bonds2

About 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol

4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol (PubChem CID 171980806) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol
PubChem CID171980806
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC Name4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol
SMILESOc1c(Cl)cc(Br)cc1/C=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H7BrCl2FNO/c14-8-3-7(13(19)11(16)4-8)6-18-9-1-2-12(17)10(15)5-9/h1-6,19H/b18-6+
InChIKeyGXGIBZLUKHDPFT-NGYBGAFCSA-N
XLogP5.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.01
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol (CID 171980806) is 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol is Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol?
The InChIKey is GXGIBZLUKHDPFT-NGYBGAFCSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-8-3-7(13(19)11(16)4-8)6-18-9-1-2-12(17)10(15)5-9/h1-6,19H/b18-6+.
What are the key properties of 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol?
4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol has a molecular weight of 363.01 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol is sourced from PubChem (CID 171980806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).