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

C12H10N4O3 — CID 54915069

IUPAC6-(2-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2[N+](=O)[O-])nc1
InChIInChI=1S/C12H10N4O3/c13-12(14)8-5-6-11(15-7-8)19-10-4-2-1-3-9(10)16(17)18/h1-7H,(H3,13,14)
InChIKeyZFUXYDATKYYFIP-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.07
Rot. Bonds4

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

6-(2-nitrophenoxy)pyridine-3-carboximidamide (PubChem CID 54915069) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 6-(2-nitrophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-nitrophenoxy)pyridine-3-carboximidamide
PubChem CID54915069
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name6-(2-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccccc2[N+](=O)[O-])nc1
InChIInChI=1S/C12H10N4O3/c13-12(14)8-5-6-11(15-7-8)19-10-4-2-1-3-9(10)16(17)18/h1-7H,(H3,13,14)
InChIKeyZFUXYDATKYYFIP-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-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
6-(3-methyl-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61037976
6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61031687
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carboximidamide
CID 43804673
6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
6-(2-nitrophenoxy)pyridazin-3-amine
CID 14294312
2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769397
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
6-(2,5-dichlorophenoxy)pyridine-3-carboximidamide
CID 24694773
5-chloro-2-(2-nitrophenoxy)pyridine-4-carboxylic acid
CID 114916895

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-(2-nitrophenoxy)pyridine-3-carboximidamide (CID 54915069) is 6-(2-nitrophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-nitrophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-(2-nitrophenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccccc2[N+](=O)[O-])nc1.
What is the InChIKey of 6-(2-nitrophenoxy)pyridine-3-carboximidamide?
The InChIKey is ZFUXYDATKYYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-12(14)8-5-6-11(15-7-8)19-10-4-2-1-3-9(10)16(17)18/h1-7H,(H3,13,14).
What are the key properties of 6-(2-nitrophenoxy)pyridine-3-carboximidamide?
6-(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 6-(2-nitrophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 54915069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).