4-amino-2-methoxy-5-nitrobenzenecarboximidamide

C8H10N4O3 — CID 163366548

IUPAC4-amino-2-methoxy-5-nitrobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc([N+](=O)[O-])c(N)cc1OC
InChIInChI=1S/C8H10N4O3/c1-15-7-3-5(9)6(12(13)14)2-4(7)8(10)11/h2-3H,9H2,1H3,(H3,10,11)
InChIKeyHMQSJJAFNRAMKZ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.47
Rot. Bonds3

About 4-amino-2-methoxy-5-nitrobenzenecarboximidamide

4-amino-2-methoxy-5-nitrobenzenecarboximidamide (PubChem CID 163366548) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-amino-2-methoxy-5-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name4-amino-2-methoxy-5-nitrobenzenecarboximidamide
PubChem CID163366548
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name4-amino-2-methoxy-5-nitrobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc([N+](=O)[O-])c(N)cc1OC
InChIInChI=1S/C8H10N4O3/c1-15-7-3-5(9)6(12(13)14)2-4(7)8(10)11/h2-3H,9H2,1H3,(H3,10,11)
InChIKeyHMQSJJAFNRAMKZ-UHFFFAOYSA-N
XLogP0.47
TPSA128.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

sodium 4-amino-2-methoxy-5-nitrobenzoate
CID 21275767
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074
2-amino-4-chloro-5-nitrobenzenecarboximidamide
CID 150654153
5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 107930807
methyl 4-amino-2-ethoxy-5-nitrobenzoate
CID 15096751
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
2-bromo-4,5-dimethoxybenzenecarboximidamide
CID 60926806
ethyl 2,5-dimethoxy-4-nitrobenzoate
CID 53419339
3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253851
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
methyl 2-methoxy-4,5-dinitrobenzoate
CID 165357884

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-5-nitrobenzenecarboximidamide?
The IUPAC name of 4-amino-2-methoxy-5-nitrobenzenecarboximidamide (CID 163366548) is 4-amino-2-methoxy-5-nitrobenzenecarboximidamide.
What is the SMILES notation for 4-amino-2-methoxy-5-nitrobenzenecarboximidamide?
The canonical SMILES for 4-amino-2-methoxy-5-nitrobenzenecarboximidamide is [H]/N=C(\N)c1cc([N+](=O)[O-])c(N)cc1OC.
What is the InChIKey of 4-amino-2-methoxy-5-nitrobenzenecarboximidamide?
The InChIKey is HMQSJJAFNRAMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-15-7-3-5(9)6(12(13)14)2-4(7)8(10)11/h2-3H,9H2,1H3,(H3,10,11).
What are the key properties of 4-amino-2-methoxy-5-nitrobenzenecarboximidamide?
4-amino-2-methoxy-5-nitrobenzenecarboximidamide has a molecular weight of 210.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-5-nitrobenzenecarboximidamide is sourced from PubChem (CID 163366548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).