3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide

C12H9ClN4O4 — CID 136865799

IUPAC3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O4/c13-7-3-1-4-8(17(19)20)11(7)21-9-5-2-6-15-10(9)12(14)16-18/h1-6,18H,(H2,14,16)
InChIKeyXWSJATWMKODDCM-UHFFFAOYSA-N
MW308.68 g/mol
LogP2.53
Rot. Bonds4

About 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide

3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136865799) has the molecular formula C12H9ClN4O4 and a molecular weight of 308.68 g/mol. Its IUPAC name is 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136865799
Molecular FormulaC12H9ClN4O4
Molecular Weight308.68 g/mol
Exact Mass308.03
IUPAC Name3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN4O4/c13-7-3-1-4-8(17(19)20)11(7)21-9-5-2-6-15-10(9)12(14)16-18/h1-6,18H,(H2,14,16)
InChIKeyXWSJATWMKODDCM-UHFFFAOYSA-N
XLogP2.53
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 52.53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 107718707
5-chloro-N'-hydroxyisoquinoline-1-carboximidamide
CID 137085301
3-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136745399
2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 76935799
3-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730869
2-(2-chloro-6-nitrophenoxy)ethanimidamide
CID 107717032
[4-(2-chloro-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107719446
3-chloro-2-(2-chloro-6-nitrophenoxy)pyridine-4-carboxylic acid
CID 107718864
N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide
CID 134574788
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907441
2-(2-chloro-6-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 107717026

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide (CID 136865799) is 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ncccc1Oc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is XWSJATWMKODDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O4/c13-7-3-1-4-8(17(19)20)11(7)21-9-5-2-6-15-10(9)12(14)16-18/h1-6,18H,(H2,14,16).
What are the key properties of 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide?
3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 308.68 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136865799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).