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

C10H12ClN3O5 — CID 103229182

IUPAC2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NN
InChIInChI=1S/C10H12ClN3O5/c1-18-5-9(10(15)13-12)19-8-3-2-6(14(16)17)4-7(8)11/h2-4,9H,5,12H2,1H3,(H,13,15)
InChIKeyBVUKUBYMGRTLKX-UHFFFAOYSA-N
MW289.68 g/mol
LogP0.63
Rot. Bonds6

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

2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide (PubChem CID 103229182) has the molecular formula C10H12ClN3O5 and a molecular weight of 289.68 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
PubChem CID103229182
Molecular FormulaC10H12ClN3O5
Molecular Weight289.68 g/mol
Exact Mass289.05
IUPAC Name2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NN
InChIInChI=1S/C10H12ClN3O5/c1-18-5-9(10(15)13-12)19-8-3-2-6(14(16)17)4-7(8)11/h2-4,9H,5,12H2,1H3,(H,13,15)
InChIKeyBVUKUBYMGRTLKX-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

2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229297
3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
CID 103229305
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229241
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
2-(2-chloro-4-nitrophenoxy)butanamide
CID 62901256
3-methoxy-2-(2-nitrophenoxy)propanehydrazide
CID 103229219
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
ethyl 2-(2-chloro-4-nitrophenoxy)-2-fluoroacetate
CID 79356650
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide
CID 107501714
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
2-amino-4-(2-chloro-4-nitrophenoxy)-2-methylpentanoic acid
CID 64708987

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide (CID 103229182) is 2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide is COCC(Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)NN.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide?
The InChIKey is BVUKUBYMGRTLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O5/c1-18-5-9(10(15)13-12)19-8-3-2-6(14(16)17)4-7(8)11/h2-4,9H,5,12H2,1H3,(H,13,15).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide?
2-(2-chloro-4-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-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).