2-bromo-6-piperidin-3-ylpyridine;dihydrochloride

C10H15BrCl2N2 — CID 170905464

IUPAC2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
SMILESBrc1cccc(C2CCCNC2)n1.Cl.Cl
InChIInChI=1S/C10H13BrN2.2ClH/c11-10-5-1-4-9(13-10)8-3-2-6-12-7-8;;/h1,4-5,8,12H,2-3,6-7H2;2*1H
InChIKeyFXSFCVGCIQATAZ-UHFFFAOYSA-N
MW314.05 g/mol
LogP3.15
Rot. Bonds1

About 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride

2-bromo-6-piperidin-3-ylpyridine;dihydrochloride (PubChem CID 170905464) has the molecular formula C10H15BrCl2N2 and a molecular weight of 314.05 g/mol. Its IUPAC name is 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride.

Molecular Properties

Compound Name2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
PubChem CID170905464
Molecular FormulaC10H15BrCl2N2
Molecular Weight314.05 g/mol
Exact Mass311.98
IUPAC Name2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
SMILESBrc1cccc(C2CCCNC2)n1.Cl.Cl
InChIInChI=1S/C10H13BrN2.2ClH/c11-10-5-1-4-9(13-10)8-3-2-6-12-7-8;;/h1,4-5,8,12H,2-3,6-7H2;2*1H
InChIKeyFXSFCVGCIQATAZ-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.05
LogP ≤ 53.15
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-[(3R)-piperidin-3-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 125010017
N-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 125009516
2-benzyl-6-[(3R)-piperidin-3-yl]pyridine
CID 95808751
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
6-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 110271375
3-(1-bromonaphthalen-2-yl)piperidine
CID 165357301
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
2-piperidin-3-yl-6-pyridin-3-yloxypyridine
CID 110082260
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517
3-(6-bromo-2-pyridinyl)cyclohexan-1-one
CID 130044737
3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;dihydrochloride
CID 142763409
3-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]imidazo[1,2-a]pyrimidine
CID 124994491

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride?
The IUPAC name of 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride (CID 170905464) is 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride.
What is the SMILES notation for 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride?
The canonical SMILES for 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride is Brc1cccc(C2CCCNC2)n1.Cl.Cl.
What is the InChIKey of 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride?
The InChIKey is FXSFCVGCIQATAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2.2ClH/c11-10-5-1-4-9(13-10)8-3-2-6-12-7-8;;/h1,4-5,8,12H,2-3,6-7H2;2*1H.
What are the key properties of 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride?
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride has a molecular weight of 314.05 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-piperidin-3-ylpyridine;dihydrochloride is sourced from PubChem (CID 170905464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).