4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium

C11H18ClN3O3 — CID 141408842

IUPAC4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.Nc1ccnc(C(=O)[O-])c1Cl
InChIInChI=1S/C6H5ClN2O2.C5H14NO/c7-4-3(8)1-2-9-5(4)6(10)11;1-6(2,3)4-5-7/h1-2H,(H2,8,9)(H,10,11);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyITSQVPVTWHCSHF-UHFFFAOYSA-M
MW275.74 g/mol
LogP-0.63
Rot. Bonds3

About 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium

4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium (PubChem CID 141408842) has the molecular formula C11H18ClN3O3 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium
PubChem CID141408842
Molecular FormulaC11H18ClN3O3
Molecular Weight275.74 g/mol
Exact Mass275.10
IUPAC Name4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.Nc1ccnc(C(=O)[O-])c1Cl
InChIInChI=1S/C6H5ClN2O2.C5H14NO/c7-4-3(8)1-2-9-5(4)6(10)11;1-6(2,3)4-5-7/h1-2H,(H2,8,9)(H,10,11);7H,4-5H2,1-3H3/q;+1/p-1
InChIKeyITSQVPVTWHCSHF-UHFFFAOYSA-M
XLogP-0.63
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium (CID 141408842) is 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.Nc1ccnc(C(=O)[O-])c1Cl.
What is the InChIKey of 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is ITSQVPVTWHCSHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClN2O2.C5H14NO/c7-4-3(8)1-2-9-5(4)6(10)11;1-6(2,3)4-5-7/h1-2H,(H2,8,9)(H,10,11);7H,4-5H2,1-3H3/q;+1/p-1.
What are the key properties of 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium?
4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 275.74 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloropyridine-2-carboxylate;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 141408842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).