2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride

C10H14BrClN2 — CID 171195423

IUPAC2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride
SMILESBrc1ncccc1[C@H]1CCCCN1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c11-10-8(4-3-7-13-10)9-5-1-2-6-12-9;/h3-4,7,9,12H,1-2,5-6H2;1H/t9-;/m1./s1
InChIKeyOGVYSGVQKBQSHJ-SBSPUUFOSA-N
MW277.59 g/mol
LogP3.08
Rot. Bonds1

About 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride

2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride (PubChem CID 171195423) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride
PubChem CID171195423
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride
SMILESBrc1ncccc1[C@H]1CCCCN1.Cl
InChIInChI=1S/C10H13BrN2.ClH/c11-10-8(4-3-7-13-10)9-5-1-2-6-12-9;/h3-4,7,9,12H,1-2,5-6H2;1H/t9-;/m1./s1
InChIKeyOGVYSGVQKBQSHJ-SBSPUUFOSA-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

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
1-(3-piperidin-2-yl-2-pyridinyl)azepane
CID 102541861
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
CID 154574794
3-piperidin-2-yl-2-propan-2-ylsulfanylpyridine
CID 102542304
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
2-phenylmethoxy-3-piperidin-2-ylpyridine
CID 102539518
3-piperidin-2-yl-N-propylpyridin-2-amine
CID 102540073
2-(2-bromo-3-fluorophenyl)piperidine
CID 84709368
2-[2-[(2S)-pyrrolidin-2-yl]phenyl]pyridine;hydrochloride
CID 164551354
2-(2-cyclopentylphenyl)piperidine
CID 115005914

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride?
The IUPAC name of 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride (CID 171195423) is 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride.
What is the SMILES notation for 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride?
The canonical SMILES for 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride is Brc1ncccc1[C@H]1CCCCN1.Cl.
What is the InChIKey of 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride?
The InChIKey is OGVYSGVQKBQSHJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13BrN2.ClH/c11-10-8(4-3-7-13-10)9-5-1-2-6-12-9;/h3-4,7,9,12H,1-2,5-6H2;1H/t9-;/m1./s1.
What are the key properties of 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride?
2-bromo-3-[(2R)-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 2-bromo-3-[(2R)-piperidin-2-yl]pyridine;hydrochloride is sourced from PubChem (CID 171195423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).