5-bromo-2-hydroxy-4-methylbenzohydrazide

C8H9BrN2O2 — CID 130090980

IUPAC5-bromo-2-hydroxy-4-methylbenzohydrazide
SMILESCc1cc(O)c(C(=O)NN)cc1Br
InChIInChI=1S/C8H9BrN2O2/c1-4-2-7(12)5(3-6(4)9)8(13)11-10/h2-3,12H,10H2,1H3,(H,11,13)
InChIKeyWHIJBAVXDOZJLJ-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.07
Rot. Bonds1

About 5-bromo-2-hydroxy-4-methylbenzohydrazide

5-bromo-2-hydroxy-4-methylbenzohydrazide (PubChem CID 130090980) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-4-methylbenzohydrazide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-4-methylbenzohydrazide
PubChem CID130090980
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name5-bromo-2-hydroxy-4-methylbenzohydrazide
SMILESCc1cc(O)c(C(=O)NN)cc1Br
InChIInChI=1S/C8H9BrN2O2/c1-4-2-7(12)5(3-6(4)9)8(13)11-10/h2-3,12H,10H2,1H3,(H,11,13)
InChIKeyWHIJBAVXDOZJLJ-UHFFFAOYSA-N
XLogP1.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.07
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

methyl 4-bromo-2-hydroxy-5-methylbenzoate
CID 66611909
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methyl 5-bromo-4-hydroxy-2-methylbenzoate
CID 131384435
5-tert-butyl-2-hydroxybenzohydrazide
CID 21447983
4-hydroxybenzene-1,3-dicarbohydrazide
CID 13149470
(2S)-2-amino-2-(5-bromo-2-hydroxy-4-methylphenyl)acetic acid
CID 66513485
2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
CID 117393309
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
5-bromo-2-methylpyridine-3-carbohydrazide
CID 133061370
ethyl 2-(2,5-dibromo-4-methylphenyl)-2-oxoacetate
CID 81473961
3-hydroxynaphthalene-2,7-dicarbohydrazide
CID 23149584
3-hydroxynaphthalene-2-carbohydrazide;sulfuric acid
CID 160733684

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-4-methylbenzohydrazide?
The IUPAC name of 5-bromo-2-hydroxy-4-methylbenzohydrazide (CID 130090980) is 5-bromo-2-hydroxy-4-methylbenzohydrazide.
What is the SMILES notation for 5-bromo-2-hydroxy-4-methylbenzohydrazide?
The canonical SMILES for 5-bromo-2-hydroxy-4-methylbenzohydrazide is Cc1cc(O)c(C(=O)NN)cc1Br.
What is the InChIKey of 5-bromo-2-hydroxy-4-methylbenzohydrazide?
The InChIKey is WHIJBAVXDOZJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-4-2-7(12)5(3-6(4)9)8(13)11-10/h2-3,12H,10H2,1H3,(H,11,13).
What are the key properties of 5-bromo-2-hydroxy-4-methylbenzohydrazide?
5-bromo-2-hydroxy-4-methylbenzohydrazide has a molecular weight of 245.08 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-4-methylbenzohydrazide is sourced from PubChem (CID 130090980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).