2-methoxy-5-nitropyridine-3-carboximidamide

C7H8N4O3 — CID 20715089

IUPAC2-methoxy-5-nitropyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc([N+](=O)[O-])cnc1OC
InChIInChI=1S/C7H8N4O3/c1-14-7-5(6(8)9)2-4(3-10-7)11(12)13/h2-3H,1H3,(H3,8,9)
InChIKeyLZMIYQBDUKBJRJ-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.28
Rot. Bonds3

About 2-methoxy-5-nitropyridine-3-carboximidamide

2-methoxy-5-nitropyridine-3-carboximidamide (PubChem CID 20715089) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-methoxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name2-methoxy-5-nitropyridine-3-carboximidamide
PubChem CID20715089
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2-methoxy-5-nitropyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc([N+](=O)[O-])cnc1OC
InChIInChI=1S/C7H8N4O3/c1-14-7-5(6(8)9)2-4(3-10-7)11(12)13/h2-3H,1H3,(H3,8,9)
InChIKeyLZMIYQBDUKBJRJ-UHFFFAOYSA-N
XLogP0.28
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine
CID 89325935
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
2-methoxy-5-nitro-3-propan-2-ylpyridine
CID 175836556
ethyl 5-nitro-2-propoxypyridine-3-carboxylate
CID 54001736
4-amino-2-methoxy-5-nitrobenzenecarboximidamide
CID 163366548
3-(2,6-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087502
4-amino-1-(2-methoxy-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171881905
3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253852
3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087531
N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide
CID 55037210
2-(3,3-dimethylbutoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77135490
methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 2-methoxy-5-nitropyridine-3-carboximidamide (CID 20715089) is 2-methoxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 2-methoxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 2-methoxy-5-nitropyridine-3-carboximidamide is [H]/N=C(\N)c1cc([N+](=O)[O-])cnc1OC.
What is the InChIKey of 2-methoxy-5-nitropyridine-3-carboximidamide?
The InChIKey is LZMIYQBDUKBJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-14-7-5(6(8)9)2-4(3-10-7)11(12)13/h2-3H,1H3,(H3,8,9).
What are the key properties of 2-methoxy-5-nitropyridine-3-carboximidamide?
2-methoxy-5-nitropyridine-3-carboximidamide has a molecular weight of 196.17 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 20715089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).