2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid

C11H13ClN2O2 — CID 60973947

IUPAC2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCCN1c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H13ClN2O2/c1-7-3-2-4-14(7)10-6-8(11(15)16)5-9(12)13-10/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyRHKZJMMYNWOZEH-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.42
Rot. Bonds2

About 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid

2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 60973947) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
PubChem CID60973947
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCCN1c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H13ClN2O2/c1-7-3-2-4-14(7)10-6-8(11(15)16)5-9(12)13-10/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeyRHKZJMMYNWOZEH-UHFFFAOYSA-N
XLogP2.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid (CID 60973947) is 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid is CC1CCCN1c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is RHKZJMMYNWOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7-3-2-4-14(7)10-6-8(11(15)16)5-9(12)13-10/h5-7H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid?
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 240.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 60973947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).