3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol

C14H10Br2FNO2 — CID 4588797

IUPAC3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)c(Br)c(/C=N/c2ccc(F)cc2)c1O
InChIInChI=1S/C14H10Br2FNO2/c1-20-12-6-11(15)13(16)10(14(12)19)7-18-9-4-2-8(17)3-5-9/h2-7,19H,1H3/b18-7+
InChIKeyJGTGHJCAEVKVNI-CNHKJKLMSA-N
MW403.05 g/mol
LogP4.82
Rot. Bonds3

About 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol

3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol (PubChem CID 4588797) has the molecular formula C14H10Br2FNO2 and a molecular weight of 403.05 g/mol. Its IUPAC name is 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol
PubChem CID4588797
Molecular FormulaC14H10Br2FNO2
Molecular Weight403.05 g/mol
Exact Mass400.91
IUPAC Name3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)c(Br)c(/C=N/c2ccc(F)cc2)c1O
InChIInChI=1S/C14H10Br2FNO2/c1-20-12-6-11(15)13(16)10(14(12)19)7-18-9-4-2-8(17)3-5-9/h2-7,19H,1H3/b18-7+
InChIKeyJGTGHJCAEVKVNI-CNHKJKLMSA-N
XLogP4.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.05
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol (CID 4588797) is 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol is COc1cc(Br)c(Br)c(/C=N/c2ccc(F)cc2)c1O.
What is the InChIKey of 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is JGTGHJCAEVKVNI-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H10Br2FNO2/c1-20-12-6-11(15)13(16)10(14(12)19)7-18-9-4-2-8(17)3-5-9/h2-7,19H,1H3/b18-7+.
What are the key properties of 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol?
3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 403.05 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-[(4-fluorophenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 4588797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).