2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine

C13H18Cl2N2 — CID 106993827

IUPAC2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCC(C)C1CCCN1Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-9(2)11-4-3-7-17(11)8-10-5-6-12(14)16-13(10)15/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyRKJMMQXRRIOGIL-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.01
Rot. Bonds3

About 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine

2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 106993827) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
PubChem CID106993827
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine
SMILESCC(C)C1CCCN1Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H18Cl2N2/c1-9(2)11-4-3-7-17(11)8-10-5-6-12(14)16-13(10)15/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyRKJMMQXRRIOGIL-UHFFFAOYSA-N
XLogP4.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine (CID 106993827) is 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine is CC(C)C1CCCN1Cc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is RKJMMQXRRIOGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9(2)11-4-3-7-17(11)8-10-5-6-12(14)16-13(10)15/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine?
2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 273.21 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 106993827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).