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

C10H14Cl2N2 — CID 171194804

IUPAC2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
SMILESCl.Clc1ccc([C@@H]2CCCCN2)cn1
InChIInChI=1S/C10H13ClN2.ClH/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9;/h4-5,7,9,12H,1-3,6H2;1H/t9-;/m0./s1
InChIKeyRSIGUPWGUJDMCV-FVGYRXGTSA-N
MW233.14 g/mol
LogP2.97
Rot. Bonds1

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

2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride (PubChem CID 171194804) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
PubChem CID171194804
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
SMILESCl.Clc1ccc([C@@H]2CCCCN2)cn1
InChIInChI=1S/C10H13ClN2.ClH/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9;/h4-5,7,9,12H,1-3,6H2;1H/t9-;/m0./s1
InChIKeyRSIGUPWGUJDMCV-FVGYRXGTSA-N
XLogP2.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.97
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;dihydrochloride
CID 164890613
(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;hydrochloride?
The IUPAC name of 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride (CID 171194804) is 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride?
The canonical SMILES for 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride is Cl.Clc1ccc([C@@H]2CCCCN2)cn1.
What is the InChIKey of 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride?
The InChIKey is RSIGUPWGUJDMCV-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13ClN2.ClH/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9;/h4-5,7,9,12H,1-3,6H2;1H/t9-;/m0./s1.
What are the key properties of 2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride?
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride has a molecular weight of 233.14 g/mol, XLogP of 2.97, 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;hydrochloride is sourced from PubChem (CID 171194804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).