2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide

C10H12BrN3O4 — CID 79844395

IUPAC2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide
SMILESCc1cc(Br)cc([N+](=O)[O-])c1OC(C)C(=O)NN
InChIInChI=1S/C10H12BrN3O4/c1-5-3-7(11)4-8(14(16)17)9(5)18-6(2)10(15)13-12/h3-4,6H,12H2,1-2H3,(H,13,15)
InChIKeyAMUIEPRHOUEITC-UHFFFAOYSA-N
MW318.13 g/mol
LogP1.42
Rot. Bonds4

About 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide

2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide (PubChem CID 79844395) has the molecular formula C10H12BrN3O4 and a molecular weight of 318.13 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide
PubChem CID79844395
Molecular FormulaC10H12BrN3O4
Molecular Weight318.13 g/mol
Exact Mass317.00
IUPAC Name2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide
SMILESCc1cc(Br)cc([N+](=O)[O-])c1OC(C)C(=O)NN
InChIInChI=1S/C10H12BrN3O4/c1-5-3-7(11)4-8(14(16)17)9(5)18-6(2)10(15)13-12/h3-4,6H,12H2,1-2H3,(H,13,15)
InChIKeyAMUIEPRHOUEITC-UHFFFAOYSA-N
XLogP1.42
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethyl-6-nitrophenoxy)propanehydrazide
CID 63570531
5-bromo-2-(difluoromethoxy)-1-methyl-3-nitrobenzene
CID 121227916
2-[4-bromo-2-(1-hydroxyethyl)-6-nitrophenoxy]-N-methylpropanamide
CID 116542071
1-(4-bromo-2-methyl-6-nitrophenoxy)-3-methylbutan-2-one
CID 79841915
2-(2-acetyl-4-bromo-6-nitrophenoxy)-N-methylpropanamide
CID 116541753
methyl (2R)-2-(4-bromo-2-fluoro-6-nitrophenoxy)propanoate
CID 140746332
1-(4-bromo-2-methyl-6-nitrophenoxy)propan-2-amine
CID 102689396
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
ethyl 4-(4-bromo-2-methyl-6-nitrophenoxy)-3-oxobutanoate
CID 79843836
(2R)-2-(4-bromo-2-chloro-6-nitrophenoxy)propanoic acid
CID 122601562
2-amino-3-(4-bromo-2-methyl-6-nitrophenoxy)propanoic acid
CID 79844114
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide?
The IUPAC name of 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide (CID 79844395) is 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide.
What is the SMILES notation for 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide?
The canonical SMILES for 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide is Cc1cc(Br)cc([N+](=O)[O-])c1OC(C)C(=O)NN.
What is the InChIKey of 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide?
The InChIKey is AMUIEPRHOUEITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O4/c1-5-3-7(11)4-8(14(16)17)9(5)18-6(2)10(15)13-12/h3-4,6H,12H2,1-2H3,(H,13,15).
What are the key properties of 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide?
2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide has a molecular weight of 318.13 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-6-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 79844395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).