2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine

C9H10N6O5 — CID 85064349

IUPAC2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine
SMILESCOc1ccc([N+](=O)[O-])c(C=NN=C(N)N)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N6O5/c1-20-7-3-2-6(14(16)17)5(8(7)15(18)19)4-12-13-9(10)11/h2-4H,1H3,(H4,10,11,13)
InChIKeyCAOAXWGDINBGIG-UHFFFAOYSA-N
MW282.22 g/mol
LogP0.12
Rot. Bonds5

About 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine

2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine (PubChem CID 85064349) has the molecular formula C9H10N6O5 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine
PubChem CID85064349
Molecular FormulaC9H10N6O5
Molecular Weight282.22 g/mol
Exact Mass282.07
IUPAC Name2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine
SMILESCOc1ccc([N+](=O)[O-])c(C=NN=C(N)N)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N6O5/c1-20-7-3-2-6(14(16)17)5(8(7)15(18)19)4-12-13-9(10)11/h2-4H,1H3,(H4,10,11,13)
InChIKeyCAOAXWGDINBGIG-UHFFFAOYSA-N
XLogP0.12
TPSA172.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[N'-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]carbamimidoyl]amino] 4-methylbenzenesulfonate
CID 173023905
2-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 118705656
2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 70180753
(3,6-dimethoxy-2-nitrophenyl)methylidenehydrazine
CID 168531252
acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine
CID 146217275
3-(3-methoxy-2,6-dinitrophenyl)prop-2-enoic acid
CID 3835991
2-[[4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168593053
2-[[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168593046
[carbamimidoyl-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]amino] 4-methylbenzenesulfonate
CID 173237002
2-[(E)-(2,3-dimethoxy-5,6-dinitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 10300601
2-[(4-methoxy-2-nitro-5-phenylmethoxyphenyl)methylideneamino]guanidine
CID 168591750
2-[(E)-(2-chloro-3,4-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10300026

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine (CID 85064349) is 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine is COc1ccc([N+](=O)[O-])c(C=NN=C(N)N)c1[N+](=O)[O-].
What is the InChIKey of 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine?
The InChIKey is CAOAXWGDINBGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O5/c1-20-7-3-2-6(14(16)17)5(8(7)15(18)19)4-12-13-9(10)11/h2-4H,1H3,(H4,10,11,13).
What are the key properties of 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine?
2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine has a molecular weight of 282.22 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2,6-dinitrophenyl)methylideneamino]guanidine is sourced from PubChem (CID 85064349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).