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

C10H14BrClN2 — CID 171194911

IUPAC5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
SMILESBrc1ccc([C@@H]2CCCCN2)nc1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c11-8-4-5-10(13-7-8)9-3-1-2-6-12-9;/h4-5,7,9,12H,1-3,6H2;1H/t9-;/m0./s1
InChIKeyJWZWUSYINXDKLP-FVGYRXGTSA-N
MW277.59 g/mol
LogP3.08
Rot. Bonds1

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

5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride (PubChem CID 171194911) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is 5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
PubChem CID171194911
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
SMILESBrc1ccc([C@@H]2CCCCN2)nc1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c11-8-4-5-10(13-7-8)9-3-1-2-6-12-9;/h4-5,7,9,12H,1-3,6H2;1H/t9-;/m0./s1
InChIKeyJWZWUSYINXDKLP-FVGYRXGTSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
2-(azetidin-2-yl)-5-bromopyridine
CID 112693368
2-[(2S)-azetidin-2-yl]-5-bromopyridine
CID 131039507
6-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55275999
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524
5-bromo-4-methyl-2-[(2R)-piperidin-2-yl]pyridine
CID 130618198
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
methyl 6-piperidin-2-ylpyridine-3-carboxylate
CID 115032044
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
3-piperidin-2-ylisoquinoline
CID 84782420
2-piperidin-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 76848408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride?
The IUPAC name of 5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride (CID 171194911) is 5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride.
What is the SMILES notation for 5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride?
The canonical SMILES for 5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride is Brc1ccc([C@@H]2CCCCN2)nc1.Cl.
What is the InChIKey of 5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride?
The InChIKey is JWZWUSYINXDKLP-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13BrN2.ClH/c11-8-4-5-10(13-7-8)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 5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride?
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride has a molecular weight of 277.59 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride is sourced from PubChem (CID 171194911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).