4-bromo-2-ethanehydrazonoyl-5-fluorophenol

C8H8BrFN2O — CID 137270968

IUPAC4-bromo-2-ethanehydrazonoyl-5-fluorophenol
SMILESC/C(=N/N)c1cc(Br)c(F)cc1O
InChIInChI=1S/C8H8BrFN2O/c1-4(12-11)5-2-6(9)7(10)3-8(5)13/h2-3,13H,11H2,1H3/b12-4-
InChIKeyBCTLAQFYNFBUKX-QCDXTXTGSA-N
MW247.07 g/mol
LogP1.98
Rot. Bonds1

About 4-bromo-2-ethanehydrazonoyl-5-fluorophenol

4-bromo-2-ethanehydrazonoyl-5-fluorophenol (PubChem CID 137270968) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 4-bromo-2-ethanehydrazonoyl-5-fluorophenol.

Molecular Properties

Compound Name4-bromo-2-ethanehydrazonoyl-5-fluorophenol
PubChem CID137270968
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name4-bromo-2-ethanehydrazonoyl-5-fluorophenol
SMILESC/C(=N/N)c1cc(Br)c(F)cc1O
InChIInChI=1S/C8H8BrFN2O/c1-4(12-11)5-2-6(9)7(10)3-8(5)13/h2-3,13H,11H2,1H3/b12-4-
InChIKeyBCTLAQFYNFBUKX-QCDXTXTGSA-N
XLogP1.98
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-ethanehydrazonoyl-5-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 155744413
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
2-ethanehydrazonoyl-3,5-difluorophenol
CID 137265692
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
methyl 4-bromo-5-fluoro-2-hydroxybenzoate
CID 66887268
2-(3-aminopropyl)-4-bromo-5-fluorophenol
CID 83900240
2-(2-aminopropan-2-yl)-5-bromo-4-fluorophenol
CID 84803507
4-bromo-5-fluoro-2-hydroxybenzoic acid;iodoethane
CID 175531918
prop-1-en-2-yl (1Z)-4-bromo-3-fluorobenzenecarbohydrazonate
CID 89221552
4-bromo-5-fluoro-2-methoxyphenol;formaldehyde
CID 174569223
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethanehydrazonoyl-5-fluorophenol?
The IUPAC name of 4-bromo-2-ethanehydrazonoyl-5-fluorophenol (CID 137270968) is 4-bromo-2-ethanehydrazonoyl-5-fluorophenol.
What is the SMILES notation for 4-bromo-2-ethanehydrazonoyl-5-fluorophenol?
The canonical SMILES for 4-bromo-2-ethanehydrazonoyl-5-fluorophenol is C/C(=N/N)c1cc(Br)c(F)cc1O.
What is the InChIKey of 4-bromo-2-ethanehydrazonoyl-5-fluorophenol?
The InChIKey is BCTLAQFYNFBUKX-QCDXTXTGSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c1-4(12-11)5-2-6(9)7(10)3-8(5)13/h2-3,13H,11H2,1H3/b12-4-.
What are the key properties of 4-bromo-2-ethanehydrazonoyl-5-fluorophenol?
4-bromo-2-ethanehydrazonoyl-5-fluorophenol has a molecular weight of 247.07 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethanehydrazonoyl-5-fluorophenol is sourced from PubChem (CID 137270968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).