3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine

C12H16Br2N2O — CID 107394464

IUPAC3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
SMILESCOC1(C)CCCN(c2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H16Br2N2O/c1-12(17-2)4-3-5-16(8-12)11-10(14)6-9(13)7-15-11/h6-7H,3-5,8H2,1-2H3
InChIKeySLSOMCAGAPSTOI-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.61
Rot. Bonds2

About 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine

3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine (PubChem CID 107394464) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
PubChem CID107394464
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
SMILESCOC1(C)CCCN(c2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H16Br2N2O/c1-12(17-2)4-3-5-16(8-12)11-10(14)6-9(13)7-15-11/h6-7H,3-5,8H2,1-2H3
InChIKeySLSOMCAGAPSTOI-UHFFFAOYSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine (CID 107394464) is 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine is COC1(C)CCCN(c2ncc(Br)cc2Br)C1.
What is the InChIKey of 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
The InChIKey is SLSOMCAGAPSTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-12(17-2)4-3-5-16(8-12)11-10(14)6-9(13)7-15-11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine has a molecular weight of 364.08 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 107394464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).