(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine

C9H11N3O4 — CID 168531252

IUPAC(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine
SMILESCOc1ccc(OC)c([N+](=O)[O-])c1C=NN
InChIInChI=1S/C9H11N3O4/c1-15-7-3-4-8(16-2)9(12(13)14)6(7)5-11-10/h3-5H,10H2,1-2H3
InChIKeyWGIAIXOPEKJXRE-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.90
Rot. Bonds4

About (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine

(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine (PubChem CID 168531252) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine
PubChem CID168531252
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine
SMILESCOc1ccc(OC)c([N+](=O)[O-])c1C=NN
InChIInChI=1S/C9H11N3O4/c1-15-7-3-4-8(16-2)9(12(13)14)6(7)5-11-10/h3-5H,10H2,1-2H3
InChIKeyWGIAIXOPEKJXRE-UHFFFAOYSA-N
XLogP0.90
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine
CID 85064349
6-hydroxy-3-methoxy-2-nitrobenzaldehyde
CID 44614059
ethyl (E)-3-(3,6-dimethoxy-2-nitrophenyl)prop-2-enoate
CID 70587765
methyl 3,6-dimethoxy-2-nitrobenzenesulfonate
CID 88690638
N-[(3,6-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577859
3-(3-methoxy-2,6-dinitrophenyl)prop-2-enoic acid
CID 3835991
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
[3-methoxy-4-[(4-methyl-2-nitrophenyl)methoxy]phenyl]methylidenehydrazine
CID 168531006
(2,6-dinitrophenyl)methylidenehydrazine
CID 168530907
2,3,5-trimethoxy-6-nitrobenzaldehyde
CID 66545581
3-chloro-4-methoxy-2-nitrobenzaldehyde
CID 77231457
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine?
The IUPAC name of (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine (CID 168531252) is (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine.
What is the SMILES notation for (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine?
The canonical SMILES for (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine is COc1ccc(OC)c([N+](=O)[O-])c1C=NN.
What is the InChIKey of (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine?
The InChIKey is WGIAIXOPEKJXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-15-7-3-4-8(16-2)9(12(13)14)6(7)5-11-10/h3-5H,10H2,1-2H3.
What are the key properties of (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine?
(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine has a molecular weight of 225.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine is sourced from PubChem (CID 168531252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).