2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide

C12H9ClN4O4 — CID 76935799

IUPAC2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1cccnc1Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H9ClN4O4/c13-9-6-7(3-4-10(9)17(19)20)21-12-8(11(14)16-18)2-1-5-15-12/h1-6,18H,(H2,14,16)
InChIKeyBVVSWDDAVHLQQI-UHFFFAOYSA-N
MW308.68 g/mol
LogP2.53
Rot. Bonds4

About 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide

2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 76935799) has the molecular formula C12H9ClN4O4 and a molecular weight of 308.68 g/mol. Its IUPAC name is 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide
PubChem CID76935799
Molecular FormulaC12H9ClN4O4
Molecular Weight308.68 g/mol
Exact Mass308.03
IUPAC Name2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1cccnc1Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H9ClN4O4/c13-9-6-7(3-4-10(9)17(19)20)21-12-8(11(14)16-18)2-1-5-15-12/h1-6,18H,(H2,14,16)
InChIKeyBVVSWDDAVHLQQI-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

N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 43108551
2-(4-bromo-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 83140941
2-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364411
3-(3-chloro-4-nitrophenoxy)-N'-hydroxypropanimidamide
CID 55035416
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
3-(2-chloro-6-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136865799
4-(3-chloro-4-nitrophenoxy)pyridine-2-carboxylic acid
CID 62111596
2-(3-chloro-4-fluorophenoxy)pyridine-3-carbothioamide
CID 63880027
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
2-(3-hydroxyphenoxy)pyridine-3-carboxamide
CID 60870286

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide (CID 76935799) is 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide is NC(=NO)c1cccnc1Oc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is BVVSWDDAVHLQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O4/c13-9-6-7(3-4-10(9)17(19)20)21-12-8(11(14)16-18)2-1-5-15-12/h1-6,18H,(H2,14,16).
What are the key properties of 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide?
2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-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 2-(3-chloro-4-nitrophenoxy)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 76935799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).