4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid

C12H14Cl2N2O2 — CID 162361619

IUPAC4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1(C)CCCN1c1nc(Cl)cc(Cl)c1C(=O)O
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2)4-3-5-16(12)10-9(11(17)18)7(13)6-8(14)15-10/h6H,3-5H2,1-2H3,(H,17,18)
InChIKeyQCLBLCVMKCLWPZ-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.47
Rot. Bonds2

About 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid

4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 162361619) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID162361619
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1(C)CCCN1c1nc(Cl)cc(Cl)c1C(=O)O
InChIInChI=1S/C12H14Cl2N2O2/c1-12(2)4-3-5-16(12)10-9(11(17)18)7(13)6-8(14)15-10/h6H,3-5H2,1-2H3,(H,17,18)
InChIKeyQCLBLCVMKCLWPZ-UHFFFAOYSA-N
XLogP3.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-2-(2,2-dimethylpyrrolidin-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 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 162361619) is 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid is CC1(C)CCCN1c1nc(Cl)cc(Cl)c1C(=O)O.
What is the InChIKey of 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is QCLBLCVMKCLWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-12(2)4-3-5-16(12)10-9(11(17)18)7(13)6-8(14)15-10/h6H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 289.16 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 162361619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).