6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid

C13H17ClN2O2 — CID 83219200

IUPAC6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1CCC(C)N1c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H17ClN2O2/c1-3-9-5-4-8(2)16(9)12-10(13(17)18)6-7-11(14)15-12/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyNYANURFHICJLID-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.20
Rot. Bonds3

About 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid

6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 83219200) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID83219200
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCCC1CCC(C)N1c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H17ClN2O2/c1-3-9-5-4-8(2)16(9)12-10(13(17)18)6-7-11(14)15-12/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyNYANURFHICJLID-UHFFFAOYSA-N
XLogP3.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 83219200) is 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid is CCC1CCC(C)N1c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is NYANURFHICJLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-9-5-4-8(2)16(9)12-10(13(17)18)6-7-11(14)15-12/h6-9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 83219200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).