2-(2-methoxy-6-nitrophenyl)guanidine

C8H10N4O3 — CID 57077642

IUPAC2-(2-methoxy-6-nitrophenyl)guanidine
SMILESCOc1cccc([N+](=O)[O-])c1N=C(N)N
InChIInChI=1S/C8H10N4O3/c1-15-6-4-2-3-5(12(13)14)7(6)11-8(9)10/h2-4H,1H3,(H4,9,10,11)
InChIKeyOIGFXYOEIWBRLK-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.51
Rot. Bonds3

About 2-(2-methoxy-6-nitrophenyl)guanidine

2-(2-methoxy-6-nitrophenyl)guanidine (PubChem CID 57077642) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(2-methoxy-6-nitrophenyl)guanidine.

Molecular Properties

Compound Name2-(2-methoxy-6-nitrophenyl)guanidine
PubChem CID57077642
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name2-(2-methoxy-6-nitrophenyl)guanidine
SMILESCOc1cccc([N+](=O)[O-])c1N=C(N)N
InChIInChI=1S/C8H10N4O3/c1-15-6-4-2-3-5(12(13)14)7(6)11-8(9)10/h2-4H,1H3,(H4,9,10,11)
InChIKeyOIGFXYOEIWBRLK-UHFFFAOYSA-N
XLogP0.51
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide
CID 606095
2-methoxy-6-nitrobenzenesulfonic acid;hydrochloride
CID 88827921
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
2-(3-methoxyphenyl)guanidine;nitric acid
CID 67005874
2-(2-methoxy-6-nitrophenyl)ethynyl-trimethylsilane
CID 165354100
N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide
CID 134574788
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
(2-methoxy-3-nitrophenyl) dihydrogen phosphate
CID 172766793
1-methoxy-3-nitro-2-(1,1,2,2,2-pentafluoroethyl)benzene
CID 99770396
N-ethyl-2-methoxy-6-nitroaniline
CID 89287909
[[1-amino-2-(2-methoxyphenyl)ethylidene]amino] 2-methyl-3-nitrobenzoate
CID 2880867
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-nitrophenyl)guanidine?
The IUPAC name of 2-(2-methoxy-6-nitrophenyl)guanidine (CID 57077642) is 2-(2-methoxy-6-nitrophenyl)guanidine.
What is the SMILES notation for 2-(2-methoxy-6-nitrophenyl)guanidine?
The canonical SMILES for 2-(2-methoxy-6-nitrophenyl)guanidine is COc1cccc([N+](=O)[O-])c1N=C(N)N.
What is the InChIKey of 2-(2-methoxy-6-nitrophenyl)guanidine?
The InChIKey is OIGFXYOEIWBRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-15-6-4-2-3-5(12(13)14)7(6)11-8(9)10/h2-4H,1H3,(H4,9,10,11).
What are the key properties of 2-(2-methoxy-6-nitrophenyl)guanidine?
2-(2-methoxy-6-nitrophenyl)guanidine has a molecular weight of 210.19 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-nitrophenyl)guanidine is sourced from PubChem (CID 57077642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).