2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride

C11H19ClN2O3 — CID 174889532

IUPAC2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride
SMILESC[N+](C)(C)CCO.O=C(O)c1cccnc1.[Cl-]
InChIInChI=1S/C6H5NO2.C5H14NO.ClH/c8-6(9)5-2-1-3-7-4-5;1-6(2,3)4-5-7;/h1-4H,(H,8,9);7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyAEMLTMDATRPBDV-UHFFFAOYSA-M
MW262.74 g/mol
LogP-2.53
Rot. Bonds3

About 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride

2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride (PubChem CID 174889532) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride
PubChem CID174889532
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Name2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride
SMILESC[N+](C)(C)CCO.O=C(O)c1cccnc1.[Cl-]
InChIInChI=1S/C6H5NO2.C5H14NO.ClH/c8-6(9)5-2-1-3-7-4-5;1-6(2,3)4-5-7;/h1-4H,(H,8,9);7H,4-5H2,1-3H3;1H/q;+1;/p-1
InChIKeyAEMLTMDATRPBDV-UHFFFAOYSA-M
XLogP-2.53
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 5-2.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride (CID 174889532) is 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride is C[N+](C)(C)CCO.O=C(O)c1cccnc1.[Cl-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride?
The InChIKey is AEMLTMDATRPBDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO2.C5H14NO.ClH/c8-6(9)5-2-1-3-7-4-5;1-6(2,3)4-5-7;/h1-4H,(H,8,9);7H,4-5H2,1-3H3;1H/q;+1;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride?
2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride has a molecular weight of 262.74 g/mol, XLogP of -2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride is sourced from PubChem (CID 174889532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).