3-(4-bromophenyl)-3-hydroxypropanehydrazide

C9H11BrN2O2 — CID 11846937

IUPAC3-(4-bromophenyl)-3-hydroxypropanehydrazide
SMILESNNC(=O)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O2/c10-7-3-1-6(2-4-7)8(13)5-9(14)12-11/h1-4,8,13H,5,11H2,(H,12,14)
InChIKeyPSQAMPSFVJTISZ-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.86
Rot. Bonds3

About 3-(4-bromophenyl)-3-hydroxypropanehydrazide

3-(4-bromophenyl)-3-hydroxypropanehydrazide (PubChem CID 11846937) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-hydroxypropanehydrazide.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-hydroxypropanehydrazide
PubChem CID11846937
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-(4-bromophenyl)-3-hydroxypropanehydrazide
SMILESNNC(=O)CC(O)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O2/c10-7-3-1-6(2-4-7)8(13)5-9(14)12-11/h1-4,8,13H,5,11H2,(H,12,14)
InChIKeyPSQAMPSFVJTISZ-UHFFFAOYSA-N
XLogP0.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-3-hydroxypropanamide
CID 11514276
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638
3-(4-bromophenyl)-3-hydroxy-N-phenylpropanamide
CID 22142303
ethyl 4-(4-bromophenyl)-4-hydroxy-2-methylidenebutanoate
CID 11958195
2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide
CID 23004809
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
2-aminooxy-1-(4-bromophenyl)ethanol
CID 82115920
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
(3S,4R)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 99107338
2-(4-bromophenyl)-2-sulfanylacetamide
CID 173431323
3-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid
CID 82347872
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-hydroxypropanehydrazide?
The IUPAC name of 3-(4-bromophenyl)-3-hydroxypropanehydrazide (CID 11846937) is 3-(4-bromophenyl)-3-hydroxypropanehydrazide.
What is the SMILES notation for 3-(4-bromophenyl)-3-hydroxypropanehydrazide?
The canonical SMILES for 3-(4-bromophenyl)-3-hydroxypropanehydrazide is NNC(=O)CC(O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-3-hydroxypropanehydrazide?
The InChIKey is PSQAMPSFVJTISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-7-3-1-6(2-4-7)8(13)5-9(14)12-11/h1-4,8,13H,5,11H2,(H,12,14).
What are the key properties of 3-(4-bromophenyl)-3-hydroxypropanehydrazide?
3-(4-bromophenyl)-3-hydroxypropanehydrazide has a molecular weight of 259.10 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-hydroxypropanehydrazide is sourced from PubChem (CID 11846937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).