2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol

C13H6BrF5N2O — CID 4564059

IUPAC2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cccc1C=NNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H6BrF5N2O/c14-6-3-1-2-5(13(6)22)4-20-21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4,21-22H
InChIKeyATALUDPSYPCALV-UHFFFAOYSA-N
MW381.10 g/mol
LogP4.30
Rot. Bonds3

About 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol

2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol (PubChem CID 4564059) has the molecular formula C13H6BrF5N2O and a molecular weight of 381.10 g/mol. Its IUPAC name is 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
PubChem CID4564059
Molecular FormulaC13H6BrF5N2O
Molecular Weight381.10 g/mol
Exact Mass379.96
IUPAC Name2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
SMILESOc1c(Br)cccc1C=NNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H6BrF5N2O/c14-6-3-1-2-5(13(6)22)4-20-21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4,21-22H
InChIKeyATALUDPSYPCALV-UHFFFAOYSA-N
XLogP4.30
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.10
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol (CID 4564059) is 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol is Oc1c(Br)cccc1C=NNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is ATALUDPSYPCALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF5N2O/c14-6-3-1-2-5(13(6)22)4-20-21-12-10(18)8(16)7(15)9(17)11(12)19/h1-4,21-22H.
What are the key properties of 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol?
2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 381.10 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 4564059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).