2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine

C11H14Cl2N2 — CID 138668007

IUPAC2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine
SMILESCN1CCC(c2ccc(Cl)c(Cl)n2)CC1
InChIInChI=1S/C11H14Cl2N2/c1-15-6-4-8(5-7-15)10-3-2-9(12)11(13)14-10/h2-3,8H,4-7H2,1H3
InChIKeyHKLMCNGOAUHQKA-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.20
Rot. Bonds1

About 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine

2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine (PubChem CID 138668007) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine.

Molecular Properties

Compound Name2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine
PubChem CID138668007
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine
SMILESCN1CCC(c2ccc(Cl)c(Cl)n2)CC1
InChIInChI=1S/C11H14Cl2N2/c1-15-6-4-8(5-7-15)10-3-2-9(12)11(13)14-10/h2-3,8H,4-7H2,1H3
InChIKeyHKLMCNGOAUHQKA-UHFFFAOYSA-N
XLogP3.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.20
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 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine?
The IUPAC name of 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine (CID 138668007) is 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine.
What is the SMILES notation for 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine?
The canonical SMILES for 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine is CN1CCC(c2ccc(Cl)c(Cl)n2)CC1.
What is the InChIKey of 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine?
The InChIKey is HKLMCNGOAUHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-15-6-4-8(5-7-15)10-3-2-9(12)11(13)14-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine?
2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine has a molecular weight of 245.15 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine is sourced from PubChem (CID 138668007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).