2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide

C10H12ClN3O5 — CID 103229241

IUPAC2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C10H12ClN3O5/c1-18-5-9(10(15)13-12)19-8-3-2-6(11)4-7(8)14(16)17/h2-4,9H,5,12H2,1H3,(H,13,15)
InChIKeyRPJVGEFTOXQTBN-UHFFFAOYSA-N
MW289.68 g/mol
LogP0.63
Rot. Bonds6

About 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide

2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide (PubChem CID 103229241) has the molecular formula C10H12ClN3O5 and a molecular weight of 289.68 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
PubChem CID103229241
Molecular FormulaC10H12ClN3O5
Molecular Weight289.68 g/mol
Exact Mass289.05
IUPAC Name2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C10H12ClN3O5/c1-18-5-9(10(15)13-12)19-8-3-2-6(11)4-7(8)14(16)17/h2-4,9H,5,12H2,1H3,(H,13,15)
InChIKeyRPJVGEFTOXQTBN-UHFFFAOYSA-N
XLogP0.63
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-methoxy-2-(2-nitrophenoxy)propanehydrazide
CID 103229219
2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229182
2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229297
methyl 2-(4-chloro-2-nitrophenoxy)propanoate
CID 54941361
3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
CID 103229305
2-(4-chloro-2-nitrophenoxy)butanoate
CID 57346613
1-O-ethyl 3-O-methyl 2-(4-chloro-2-nitrophenoxy)propanedioate
CID 70046550
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide
CID 107501714
(2R)-2-(4-chloro-2-nitrophenoxy)-N-ethylpropanamide
CID 8601126
3-(4-chloro-2-nitrophenoxy)-3-oxopropanoic acid
CID 54286951
2-(4-cyano-2-nitrophenoxy)pentanehydrazide
CID 83047253

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide (CID 103229241) is 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide is COCC(Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide?
The InChIKey is RPJVGEFTOXQTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O5/c1-18-5-9(10(15)13-12)19-8-3-2-6(11)4-7(8)14(16)17/h2-4,9H,5,12H2,1H3,(H,13,15).
What are the key properties of 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide?
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide has a molecular weight of 289.68 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).