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

C12H10N4O3 — CID 54915747

IUPAC2-(2-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O3/c13-11(14)8-4-3-7-15-12(8)19-10-6-2-1-5-9(10)16(17)18/h1-7H,(H3,13,14)
InChIKeyQBJWVBQPDANBGF-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.07
Rot. Bonds4

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

2-(2-nitrophenoxy)pyridine-3-carboximidamide (PubChem CID 54915747) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)pyridine-3-carboximidamide
PubChem CID54915747
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name2-(2-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N4O3/c13-11(14)8-4-3-7-15-12(8)19-10-6-2-1-5-9(10)16(17)18/h1-7H,(H3,13,14)
InChIKeyQBJWVBQPDANBGF-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

2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
CID 63599016
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-(2-phenylphenoxy)pyridine-3-carboximidamide
CID 24699943
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
CID 80514173
3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940
2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
CID 61028499
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253851

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)pyridine-3-carboximidamide?
The IUPAC name of 2-(2-nitrophenoxy)pyridine-3-carboximidamide (CID 54915747) is 2-(2-nitrophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-nitrophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2-nitrophenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenoxy)pyridine-3-carboximidamide?
The InChIKey is QBJWVBQPDANBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-11(14)8-4-3-7-15-12(8)19-10-6-2-1-5-9(10)16(17)18/h1-7H,(H3,13,14).
What are the key properties of 2-(2-nitrophenoxy)pyridine-3-carboximidamide?
2-(2-nitrophenoxy)pyridine-3-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 2-(2-nitrophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 54915747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).