6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide

C9H11N3O3 — CID 135597455

IUPAC6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cccc(C2OCCO2)n1
InChIInChI=1S/C9H11N3O3/c10-8(12-13)6-2-1-3-7(11-6)9-14-4-5-15-9/h1-3,9,13H,4-5H2,(H2,10,12)
InChIKeyWRIUXSYCFAWHOM-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.22
Rot. Bonds2

About 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide

6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 135597455) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide
PubChem CID135597455
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1cccc(C2OCCO2)n1
InChIInChI=1S/C9H11N3O3/c10-8(12-13)6-2-1-3-7(11-6)9-14-4-5-15-9/h1-3,9,13H,4-5H2,(H2,10,12)
InChIKeyWRIUXSYCFAWHOM-UHFFFAOYSA-N
XLogP0.22
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.22
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide (CID 135597455) is 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1cccc(C2OCCO2)n1.
What is the InChIKey of 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is WRIUXSYCFAWHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-8(12-13)6-2-1-3-7(11-6)9-14-4-5-15-9/h1-3,9,13H,4-5H2,(H2,10,12).
What are the key properties of 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide?
6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 209.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 135597455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).