2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine

C12H17BrN2 — CID 124641722

IUPAC2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine
SMILESCN1CCC[C@@H](Cc2cccc(Br)n2)C1
InChIInChI=1S/C12H17BrN2/c1-15-7-3-4-10(9-15)8-11-5-2-6-12(13)14-11/h2,5-6,10H,3-4,7-9H2,1H3/t10-/m0/s1
InChIKeyKINSITRTXMZDAK-JTQLQIEISA-N
MW269.19 g/mol
LogP2.73
Rot. Bonds2

About 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine

2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine (PubChem CID 124641722) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine
PubChem CID124641722
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine
SMILESCN1CCC[C@@H](Cc2cccc(Br)n2)C1
InChIInChI=1S/C12H17BrN2/c1-15-7-3-4-10(9-15)8-11-5-2-6-12(13)14-11/h2,5-6,10H,3-4,7-9H2,1H3/t10-/m0/s1
InChIKeyKINSITRTXMZDAK-JTQLQIEISA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4R)-4-[(6-bromo-2-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804470
3-[(1-methylpiperidin-3-yl)methyl]pyridazine
CID 117106273
2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine
CID 129407000
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250
5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132317
6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 62406758
2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
CID 175652389
[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115088901
2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 125004087
2-methyl-6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 124976617
6-methyl-2-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154258
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine?
The IUPAC name of 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine (CID 124641722) is 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine is CN1CCC[C@@H](Cc2cccc(Br)n2)C1.
What is the InChIKey of 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine?
The InChIKey is KINSITRTXMZDAK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17BrN2/c1-15-7-3-4-10(9-15)8-11-5-2-6-12(13)14-11/h2,5-6,10H,3-4,7-9H2,1H3/t10-/m0/s1.
What are the key properties of 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine?
2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine has a molecular weight of 269.19 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine is sourced from PubChem (CID 124641722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).