3-(5-chloro-2-nitrophenoxy)propanehydrazide

C9H10ClN3O4 — CID 63568929

IUPAC3-(5-chloro-2-nitrophenoxy)propanehydrazide
SMILESNNC(=O)CCOc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClN3O4/c10-6-1-2-7(13(15)16)8(5-6)17-4-3-9(14)12-11/h1-2,5H,3-4,11H2,(H,12,14)
InChIKeyPOPNJSKTPOWQEI-UHFFFAOYSA-N
MW259.65 g/mol
LogP1.01
Rot. Bonds5

About 3-(5-chloro-2-nitrophenoxy)propanehydrazide

3-(5-chloro-2-nitrophenoxy)propanehydrazide (PubChem CID 63568929) has the molecular formula C9H10ClN3O4 and a molecular weight of 259.65 g/mol. Its IUPAC name is 3-(5-chloro-2-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound Name3-(5-chloro-2-nitrophenoxy)propanehydrazide
PubChem CID63568929
Molecular FormulaC9H10ClN3O4
Molecular Weight259.65 g/mol
Exact Mass259.04
IUPAC Name3-(5-chloro-2-nitrophenoxy)propanehydrazide
SMILESNNC(=O)CCOc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClN3O4/c10-6-1-2-7(13(15)16)8(5-6)17-4-3-9(14)12-11/h1-2,5H,3-4,11H2,(H,12,14)
InChIKeyPOPNJSKTPOWQEI-UHFFFAOYSA-N
XLogP1.01
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 51.01
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

4-(5-chloro-2-nitrophenoxy)butan-2-one
CID 62306218
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
3-(5-chloro-2-cyanophenoxy)propanehydrazide
CID 114324002
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
CID 107501706
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
3-(4-chloro-2-methylphenoxy)propanehydrazide
CID 63574293
methyl 2-amino-4-(5-chloro-2-nitrophenoxy)-2-methylbutanoate
CID 62305539
4-chloro-2-(chloromethoxy)-1-nitrobenzene
CID 79529891
N-(3-aminopropyl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
CID 119406880
4-(5-chloro-2-nitrophenoxy)-2-(propylamino)butanamide
CID 63034270
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
5-[(5-chloro-2-nitrophenoxy)methyl]furan-3-carbohydrazide
CID 63569482

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-nitrophenoxy)propanehydrazide?
The IUPAC name of 3-(5-chloro-2-nitrophenoxy)propanehydrazide (CID 63568929) is 3-(5-chloro-2-nitrophenoxy)propanehydrazide.
What is the SMILES notation for 3-(5-chloro-2-nitrophenoxy)propanehydrazide?
The canonical SMILES for 3-(5-chloro-2-nitrophenoxy)propanehydrazide is NNC(=O)CCOc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(5-chloro-2-nitrophenoxy)propanehydrazide?
The InChIKey is POPNJSKTPOWQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O4/c10-6-1-2-7(13(15)16)8(5-6)17-4-3-9(14)12-11/h1-2,5H,3-4,11H2,(H,12,14).
What are the key properties of 3-(5-chloro-2-nitrophenoxy)propanehydrazide?
3-(5-chloro-2-nitrophenoxy)propanehydrazide has a molecular weight of 259.65 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 63568929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).