2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride

C10H15Cl3N2 — CID 164890613

IUPAC2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@@H]2CCCCN2)cn1
InChIInChI=1S/C10H13ClN2.2ClH/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9;;/h4-5,7,9,12H,1-3,6H2;2*1H/t9-;;/m0../s1
InChIKeyZAWHGUXZAPSEDF-WWPIYYJJSA-N
MW269.60 g/mol
LogP3.39
Rot. Bonds1

About 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride

2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride (PubChem CID 164890613) has the molecular formula C10H15Cl3N2 and a molecular weight of 269.60 g/mol. Its IUPAC name is 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride.

Molecular Properties

Compound Name2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
PubChem CID164890613
Molecular FormulaC10H15Cl3N2
Molecular Weight269.60 g/mol
Exact Mass268.03
IUPAC Name2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@@H]2CCCCN2)cn1
InChIInChI=1S/C10H13ClN2.2ClH/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9;;/h4-5,7,9,12H,1-3,6H2;2*1H/t9-;;/m0../s1
InChIKeyZAWHGUXZAPSEDF-WWPIYYJJSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.60
LogP ≤ 53.39
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

2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-fluoro-5-[(2S)-piperidin-2-yl]pyridine
CID 55277900
4-[(2S)-piperidin-2-yl]pyridazine;hydrochloride
CID 138376376
2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850
2,4-dichloro-5-[(2R)-piperidin-2-yl]pyridine
CID 130788142
5-piperidin-2-ylpyridine-2-carbonitrile
CID 55271438
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
N-cyclobutyl-5-piperidin-2-ylpyridin-2-amine
CID 102540393
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
2-pyridazin-4-ylazepane
CID 104670038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride?
The IUPAC name of 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride (CID 164890613) is 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride.
What is the SMILES notation for 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride?
The canonical SMILES for 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride is Cl.Cl.Clc1ccc([C@@H]2CCCCN2)cn1.
What is the InChIKey of 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride?
The InChIKey is ZAWHGUXZAPSEDF-WWPIYYJJSA-N. The full InChI is InChI=1S/C10H13ClN2.2ClH/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9;;/h4-5,7,9,12H,1-3,6H2;2*1H/t9-;;/m0../s1.
What are the key properties of 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride?
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride has a molecular weight of 269.60 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride is sourced from PubChem (CID 164890613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).