2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide

C6H6ClN3O2 — CID 46205174

IUPAC2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide
SMILESN/C(=N\O)c1ccc[n+]([O-])c1Cl
InChIInChI=1S/C6H6ClN3O2/c7-5-4(6(8)9-11)2-1-3-10(5)12/h1-3,11H,(H2,8,9)
InChIKeyAQIZDVGHAMCXKV-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.07
Rot. Bonds1

About 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide

2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide (PubChem CID 46205174) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide
PubChem CID46205174
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide
SMILESN/C(=N\O)c1ccc[n+]([O-])c1Cl
InChIInChI=1S/C6H6ClN3O2/c7-5-4(6(8)9-11)2-1-3-10(5)12/h1-3,11H,(H2,8,9)
InChIKeyAQIZDVGHAMCXKV-UHFFFAOYSA-N
XLogP0.07
TPSA85.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
N',2-dihydroxybenzenecarboximidamide
CID 4227476
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
N'-hydroxy-2-iodobenzenecarboximidamide
CID 6269117
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
CID 58182009
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
CID 76889740
3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide
CID 135740316

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide (CID 46205174) is 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide is N/C(=N\O)c1ccc[n+]([O-])c1Cl.
What is the InChIKey of 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide?
The InChIKey is AQIZDVGHAMCXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c7-5-4(6(8)9-11)2-1-3-10(5)12/h1-3,11H,(H2,8,9).
What are the key properties of 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide?
2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide has a molecular weight of 187.59 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide is sourced from PubChem (CID 46205174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).