6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide

C13H12N4O4 — CID 61031687

IUPAC6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(OC)cc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H12N4O4/c1-20-9-3-4-11(10(6-9)17(18)19)21-12-5-2-8(7-16-12)13(14)15/h2-7H,1H3,(H3,14,15)
InChIKeyBOEJTDONFUQTSI-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.07
Rot. Bonds5

About 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide

6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide (PubChem CID 61031687) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
PubChem CID61031687
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(OC)cc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H12N4O4/c1-20-9-3-4-11(10(6-9)17(18)19)21-12-5-2-8(7-16-12)13(14)15/h2-7H,1H3,(H3,14,15)
InChIKeyBOEJTDONFUQTSI-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

6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745
6-(3-methyl-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61037976
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
4-[4-[4-(4-carbamimidoylphenoxy)butylamino]butoxy]-3-nitrobenzenecarboximidamide
CID 153322009
4-(4,5-dichloro-2-nitrophenoxy)benzenecarboximidamide
CID 107500011
6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
CID 83235122
6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 62369990

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide (CID 61031687) is 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(OC)cc2[N+](=O)[O-])nc1.
What is the InChIKey of 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide?
The InChIKey is BOEJTDONFUQTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-20-9-3-4-11(10(6-9)17(18)19)21-12-5-2-8(7-16-12)13(14)15/h2-7H,1H3,(H3,14,15).
What are the key properties of 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide?
6-(4-methoxy-2-nitrophenoxy)pyridine-3-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 6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 61031687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).