3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide

C6H5ClN4O3 — CID 169161773

IUPAC3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide
SMILESNC(=NO)c1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H5ClN4O3/c7-4-1-3(11(13)14)2-9-5(4)6(8)10-12/h1-2,12H,(H2,8,10)
InChIKeyQDHHFIYIBGIFJT-UHFFFAOYSA-N
MW216.58 g/mol
LogP0.74
Rot. Bonds2

About 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide

3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide (PubChem CID 169161773) has the molecular formula C6H5ClN4O3 and a molecular weight of 216.58 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide
PubChem CID169161773
Molecular FormulaC6H5ClN4O3
Molecular Weight216.58 g/mol
Exact Mass216.01
IUPAC Name3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide
SMILESNC(=NO)c1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H5ClN4O3/c7-4-1-3(11(13)14)2-9-5(4)6(8)10-12/h1-2,12H,(H2,8,10)
InChIKeyQDHHFIYIBGIFJT-UHFFFAOYSA-N
XLogP0.74
TPSA114.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.58
LogP ≤ 50.74
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 25418108
(3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 129117138
2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77037128
N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide
CID 55037210
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 76935233
diethyl 2-(3-chloro-5-nitro-2-pyridinyl)propanedioate
CID 19010910
2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol
CID 156566047
N'-hydroxy-2-[methyl(2-methylbutyl)amino]-5-nitropyridine-3-carboximidamide
CID 76935187
3-(2,6-dichloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 76935361
N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922583
2-(3,3-dimethylbutoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77135490

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide (CID 169161773) is 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide is NC(=NO)c1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide?
The InChIKey is QDHHFIYIBGIFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4O3/c7-4-1-3(11(13)14)2-9-5(4)6(8)10-12/h1-2,12H,(H2,8,10).
What are the key properties of 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide?
3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide has a molecular weight of 216.58 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide is sourced from PubChem (CID 169161773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).