3-(bromomethyl)-4-hydrazinylphenol

C7H9BrN2O — CID 130779190

IUPAC3-(bromomethyl)-4-hydrazinylphenol
SMILESNNc1ccc(O)cc1CBr
InChIInChI=1S/C7H9BrN2O/c8-4-5-3-6(11)1-2-7(5)10-9/h1-3,10-11H,4,9H2
InChIKeyAWGFDKAAIPMXGS-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.57
Rot. Bonds2

About 3-(bromomethyl)-4-hydrazinylphenol

3-(bromomethyl)-4-hydrazinylphenol (PubChem CID 130779190) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 3-(bromomethyl)-4-hydrazinylphenol.

Molecular Properties

Compound Name3-(bromomethyl)-4-hydrazinylphenol
PubChem CID130779190
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name3-(bromomethyl)-4-hydrazinylphenol
SMILESNNc1ccc(O)cc1CBr
InChIInChI=1S/C7H9BrN2O/c8-4-5-3-6(11)1-2-7(5)10-9/h1-3,10-11H,4,9H2
InChIKeyAWGFDKAAIPMXGS-UHFFFAOYSA-N
XLogP1.57
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-hydrazinylphenol
CID 119000444
3-hydrazinyl-4-methylphenol
CID 130980882
3-(bromomethyl)-4-ethoxyphenol
CID 141197912
4-ethoxy-3-hydrazinylphenol
CID 131054436
[3-(bromomethyl)-2-iodophenyl]hydrazine
CID 130781602
5-(difluoromethyl)-2-hydrazinylphenol
CID 118835155
methyl 2-(bromomethyl)-5-hydroxybenzoate
CID 70312474
N-(2-ethyl-4-hydroxyphenyl)butanamide
CID 143294453
2-hydrazinyl-5-(4-hydrazinyl-3-hydroxyphenyl)phenol
CID 54117370
1-[2-(bromomethyl)-4-hydroxyphenyl]-1-chloropropan-2-one
CID 131117385
tert-butyl N-[2-(bromomethyl)-5-hydroxyphenyl]carbamate
CID 117236595
2-(aminomethyl)benzene-1,4-diol;hydrobromide
CID 21390124

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-hydrazinylphenol?
The IUPAC name of 3-(bromomethyl)-4-hydrazinylphenol (CID 130779190) is 3-(bromomethyl)-4-hydrazinylphenol.
What is the SMILES notation for 3-(bromomethyl)-4-hydrazinylphenol?
The canonical SMILES for 3-(bromomethyl)-4-hydrazinylphenol is NNc1ccc(O)cc1CBr.
What is the InChIKey of 3-(bromomethyl)-4-hydrazinylphenol?
The InChIKey is AWGFDKAAIPMXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-4-5-3-6(11)1-2-7(5)10-9/h1-3,10-11H,4,9H2.
What are the key properties of 3-(bromomethyl)-4-hydrazinylphenol?
3-(bromomethyl)-4-hydrazinylphenol has a molecular weight of 217.07 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-hydrazinylphenol is sourced from PubChem (CID 130779190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).