5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide

C13H12N4O4 — CID 102702745

IUPAC5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(OC)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H12N4O4/c1-20-8-3-5-11(17(18)19)12(6-8)21-9-2-4-10(13(14)15)16-7-9/h2-7H,1H3,(H3,14,15)
InChIKeyRTMCVQCMWFXADZ-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.07
Rot. Bonds5

About 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide

5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide (PubChem CID 102702745) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
PubChem CID102702745
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(OC)ccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H12N4O4/c1-20-8-3-5-11(17(18)19)12(6-8)21-9-2-4-10(13(14)15)16-7-9/h2-7H,1H3,(H3,14,15)
InChIKeyRTMCVQCMWFXADZ-UHFFFAOYSA-N
XLogP2.07
TPSA124.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054
6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61031687
5-(2-methylphenoxy)pyridine-2-carboximidamide
CID 113321278
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
4-methoxy-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 81303141
[4-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102703909
methyl 5-(2-nitrophenoxy)pyridine-2-carboxylate
CID 171322995
5-(4-ethoxyphenoxy)pyridine-2-carboximidamide
CID 115489787
4-methyl-5-nitropyridine-2-carboximidamide;hydrochloride
CID 53484979
5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine
CID 102703875

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide?
The IUPAC name of 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide (CID 102702745) is 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(OC)ccc2[N+](=O)[O-])cn1.
What is the InChIKey of 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide?
The InChIKey is RTMCVQCMWFXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-20-8-3-5-11(17(18)19)12(6-8)21-9-2-4-10(13(14)15)16-7-9/h2-7H,1H3,(H3,14,15).
What are the key properties of 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide?
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide has a molecular weight of 288.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 102702745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).