N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide

C8H11N2O3+ — CID 87875567

IUPACN-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide
SMILESO=C(NO)c1ccc[n+](CCO)c1
InChIInChI=1S/C8H10N2O3/c11-5-4-10-3-1-2-7(6-10)8(12)9-13/h1-3,6,11H,4-5H2,(H-,9,12,13)/p+1
InChIKeyVQGWLVSHOIHABP-UHFFFAOYSA-O
MW183.19 g/mol
LogP-0.91
Rot. Bonds3

About N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide

N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide (PubChem CID 87875567) has the molecular formula C8H11N2O3+ and a molecular weight of 183.19 g/mol. Its IUPAC name is N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide
PubChem CID87875567
Molecular FormulaC8H11N2O3+
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC NameN-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide
SMILESO=C(NO)c1ccc[n+](CCO)c1
InChIInChI=1S/C8H10N2O3/c11-5-4-10-3-1-2-7(6-10)8(12)9-13/h1-3,6,11H,4-5H2,(H-,9,12,13)/p+1
InChIKeyVQGWLVSHOIHABP-UHFFFAOYSA-O
XLogP-0.91
TPSA73.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide?
The IUPAC name of N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide (CID 87875567) is N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide?
The canonical SMILES for N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide is O=C(NO)c1ccc[n+](CCO)c1.
What is the InChIKey of N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide?
The InChIKey is VQGWLVSHOIHABP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N2O3/c11-5-4-10-3-1-2-7(6-10)8(12)9-13/h1-3,6,11H,4-5H2,(H-,9,12,13)/p+1.
What are the key properties of N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide?
N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide has a molecular weight of 183.19 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 87875567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).