2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride

C9H13ClN2O2 — CID 67934614

IUPAC2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride
SMILESNC(=O)Cc1cccc[n+]1CCO.[Cl-]
InChIInChI=1S/C9H12N2O2.ClH/c10-9(13)7-8-3-1-2-4-11(8)5-6-12;/h1-4,12H,5-7H2,(H-,10,13);1H
InChIKeyOZXCWFRYQGAUOO-UHFFFAOYSA-N
MW216.67 g/mol
LogP-4.00
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride

2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride (PubChem CID 67934614) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride
PubChem CID67934614
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride
SMILESNC(=O)Cc1cccc[n+]1CCO.[Cl-]
InChIInChI=1S/C9H12N2O2.ClH/c10-9(13)7-8-3-1-2-4-11(8)5-6-12;/h1-4,12H,5-7H2,(H-,10,13);1H
InChIKeyOZXCWFRYQGAUOO-UHFFFAOYSA-N
XLogP-4.00
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 5-4.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride?
The IUPAC name of 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride (CID 67934614) is 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride?
The canonical SMILES for 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride is NC(=O)Cc1cccc[n+]1CCO.[Cl-].
What is the InChIKey of 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride?
The InChIKey is OZXCWFRYQGAUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c10-9(13)7-8-3-1-2-4-11(8)5-6-12;/h1-4,12H,5-7H2,(H-,10,13);1H.
What are the key properties of 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride?
2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride has a molecular weight of 216.67 g/mol, XLogP of -4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride is sourced from PubChem (CID 67934614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).