5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine

C12H16BrClN2 — CID 103583473

IUPAC5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2/c1-8-4-3-5-9(2)16(8)12-11(14)6-10(13)7-15-12/h6-9H,3-5H2,1-2H3/t8-,9+
InChIKeyKAIUUMUKRHTRBP-DTORHVGOSA-N
MW303.63 g/mol
LogP4.26
Rot. Bonds1

About 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine

5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine (PubChem CID 103583473) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine
PubChem CID103583473
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2/c1-8-4-3-5-9(2)16(8)12-11(14)6-10(13)7-15-12/h6-9H,3-5H2,1-2H3/t8-,9+
InChIKeyKAIUUMUKRHTRBP-DTORHVGOSA-N
XLogP4.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridin-2-amine
CID 103582598
5-bromo-3-chloro-2-(2-ethylpyrrolidin-1-yl)pyridine
CID 103583016
4-(5-bromo-3-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 103583476
1-(5-bromo-3-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 103582851
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 103582784
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
5-bromo-3-chloro-2-(2-methylimidazol-1-yl)pyridine
CID 103583489
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
[5-bromo-2-(2-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62299979
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166601948
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine?
The IUPAC name of 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine (CID 103583473) is 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine is C[C@@H]1CCC[C@H](C)N1c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine?
The InChIKey is KAIUUMUKRHTRBP-DTORHVGOSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-8-4-3-5-9(2)16(8)12-11(14)6-10(13)7-15-12/h6-9H,3-5H2,1-2H3/t8-,9+.
What are the key properties of 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine?
5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine has a molecular weight of 303.63 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyridine is sourced from PubChem (CID 103583473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).