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

C12H10N4O3 — CID 64593431

IUPAC6-(3-nitrophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C12H10N4O3/c13-12(14)10-5-2-6-11(15-10)19-9-4-1-3-8(7-9)16(17)18/h1-7H,(H3,13,14)
InChIKeyATGGJOSAMWCNKG-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.07
Rot. Bonds4

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

6-(3-nitrophenoxy)pyridine-2-carboximidamide (PubChem CID 64593431) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 6-(3-nitrophenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(3-nitrophenoxy)pyridine-2-carboximidamide
PubChem CID64593431
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name6-(3-nitrophenoxy)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C12H10N4O3/c13-12(14)10-5-2-6-11(15-10)19-9-4-1-3-8(7-9)16(17)18/h1-7H,(H3,13,14)
InChIKeyATGGJOSAMWCNKG-UHFFFAOYSA-N
XLogP2.07
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.07
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

6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
CID 64593831
6-(3,5-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64594798
5-methyl-2-(3-nitrophenoxy)benzenecarboximidamide
CID 107930786
5-bromo-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114893291
4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80870461
4-[(3-nitrophenoxy)methyl]benzenecarboximidamide
CID 61032290
2-bromo-4-(3-nitrophenoxy)pyrimidine
CID 133055918
3-chloro-6-(3-nitrophenoxy)pyridazine
CID 6400989
4-fluoro-6-(3-nitrophenoxy)pyrimidine
CID 115416148
6-(2,6-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64596167
[6-(3-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920516
6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
CID 64596172

Frequently Asked Questions

What is the IUPAC name of 6-(3-nitrophenoxy)pyridine-2-carboximidamide?
The IUPAC name of 6-(3-nitrophenoxy)pyridine-2-carboximidamide (CID 64593431) is 6-(3-nitrophenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for 6-(3-nitrophenoxy)pyridine-2-carboximidamide?
The canonical SMILES for 6-(3-nitrophenoxy)pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(Oc2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-(3-nitrophenoxy)pyridine-2-carboximidamide?
The InChIKey is ATGGJOSAMWCNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-12(14)10-5-2-6-11(15-10)19-9-4-1-3-8(7-9)16(17)18/h1-7H,(H3,13,14).
What are the key properties of 6-(3-nitrophenoxy)pyridine-2-carboximidamide?
6-(3-nitrophenoxy)pyridine-2-carboximidamide has a molecular weight of 258.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-nitrophenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 64593431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).