2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine

C10H12Cl2N2 — CID 130612938

IUPAC2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine
SMILESClc1ccc([C@@H]2CCCCN2)c(Cl)n1
InChIInChI=1S/C10H12Cl2N2/c11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8/h4-5,8,13H,1-3,6H2/t8-/m0/s1
InChIKeyNLQJBZZHRXRCFT-QMMMGPOBSA-N
MW231.13 g/mol
LogP3.20
Rot. Bonds1

About 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine

2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine (PubChem CID 130612938) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine
PubChem CID130612938
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine
SMILESClc1ccc([C@@H]2CCCCN2)c(Cl)n1
InChIInChI=1S/C10H12Cl2N2/c11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8/h4-5,8,13H,1-3,6H2/t8-/m0/s1
InChIKeyNLQJBZZHRXRCFT-QMMMGPOBSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,6-dichloro-3-pyridinyl)piperazine
CID 131093662
2-chloro-3-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethyl)pyridine
CID 131335794
2-chloro-3-piperidin-2-ylphenol
CID 130000735
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
(2S)-2-(2-chloro-1H-pyrrol-3-yl)piperidine
CID 130624671
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
2,4-dichloro-5-[(2R)-piperidin-2-yl]pyridine
CID 130788142
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine (CID 130612938) is 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine is Clc1ccc([C@@H]2CCCCN2)c(Cl)n1.
What is the InChIKey of 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine?
The InChIKey is NLQJBZZHRXRCFT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8/h4-5,8,13H,1-3,6H2/t8-/m0/s1.
What are the key properties of 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine?
2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine has a molecular weight of 231.13 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine is sourced from PubChem (CID 130612938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).