3-bromo-5-piperidin-2-ylpyridine;dihydrochloride

C10H15BrCl2N2 — CID 122198515

IUPAC3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
SMILESBrc1cncc(C2CCCCN2)c1.Cl.Cl
InChIInChI=1S/C10H13BrN2.2ClH/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10;;/h5-7,10,13H,1-4H2;2*1H
InChIKeyNBOHDCIUCUPBOZ-UHFFFAOYSA-N
MW314.05 g/mol
LogP3.50
Rot. Bonds1

About 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride

3-bromo-5-piperidin-2-ylpyridine;dihydrochloride (PubChem CID 122198515) has the molecular formula C10H15BrCl2N2 and a molecular weight of 314.05 g/mol. Its IUPAC name is 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride.

Molecular Properties

Compound Name3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
PubChem CID122198515
Molecular FormulaC10H15BrCl2N2
Molecular Weight314.05 g/mol
Exact Mass311.98
IUPAC Name3-bromo-5-piperidin-2-ylpyridine;dihydrochloride
SMILESBrc1cncc(C2CCCCN2)c1.Cl.Cl
InChIInChI=1S/C10H13BrN2.2ClH/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10;;/h5-7,10,13H,1-4H2;2*1H
InChIKeyNBOHDCIUCUPBOZ-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
3-[(2S)-piperidin-2-yl]-5-(trifluoromethyl)pyridine
CID 131397807
5-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55276544
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
3-(4-fluorophenoxy)-5-piperidin-2-ylpyridine
CID 143912807
6-[(2S)-piperidin-2-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 167033175
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
CID 124671778
3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine
CID 163261196

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride?
The IUPAC name of 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride (CID 122198515) is 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride.
What is the SMILES notation for 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride?
The canonical SMILES for 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride is Brc1cncc(C2CCCCN2)c1.Cl.Cl.
What is the InChIKey of 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride?
The InChIKey is NBOHDCIUCUPBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2.2ClH/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10;;/h5-7,10,13H,1-4H2;2*1H.
What are the key properties of 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride?
3-bromo-5-piperidin-2-ylpyridine;dihydrochloride has a molecular weight of 314.05 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-piperidin-2-ylpyridine;dihydrochloride is sourced from PubChem (CID 122198515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).