4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol

C13H9BrF2N2O — CID 5215264

IUPAC4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1C=NNc1ccc(F)cc1F
InChIInChI=1S/C13H9BrF2N2O/c14-9-1-4-13(19)8(5-9)7-17-18-12-3-2-10(15)6-11(12)16/h1-7,18-19H
InChIKeyASKSYMZGUBCPHN-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.88
Rot. Bonds3

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

4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 5215264) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
PubChem CID5215264
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1C=NNc1ccc(F)cc1F
InChIInChI=1S/C13H9BrF2N2O/c14-9-1-4-13(19)8(5-9)7-17-18-12-3-2-10(15)6-11(12)16/h1-7,18-19H
InChIKeyASKSYMZGUBCPHN-UHFFFAOYSA-N
XLogP3.88
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol (CID 5215264) is 4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1C=NNc1ccc(F)cc1F.
What is the InChIKey of 4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is ASKSYMZGUBCPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-9-1-4-13(19)8(5-9)7-17-18-12-3-2-10(15)6-11(12)16/h1-7,18-19H.
What are the key properties of 4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol?
4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 327.13 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 5215264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).