3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine

C11H13Br3N2 — CID 102960994

IUPAC3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2ncc(Br)cc2Br)CC1Br
InChIInChI=1S/C11H13Br3N2/c1-7-2-3-16(6-10(7)14)11-9(13)4-8(12)5-15-11/h4-5,7,10H,2-3,6H2,1H3
InChIKeyQCZNIIRYHBMOPF-UHFFFAOYSA-N
MW412.95 g/mol
LogP4.22
Rot. Bonds1

About 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine

3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine (PubChem CID 102960994) has the molecular formula C11H13Br3N2 and a molecular weight of 412.95 g/mol. Its IUPAC name is 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine
PubChem CID102960994
Molecular FormulaC11H13Br3N2
Molecular Weight412.95 g/mol
Exact Mass409.86
IUPAC Name3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2ncc(Br)cc2Br)CC1Br
InChIInChI=1S/C11H13Br3N2/c1-7-2-3-16(6-10(7)14)11-9(13)4-8(12)5-15-11/h4-5,7,10H,2-3,6H2,1H3
InChIKeyQCZNIIRYHBMOPF-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131140975
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
3-(3-bromo-4-methylpiperidin-1-yl)-2,5-dimethylpyrazine
CID 102961228
5-bromo-2-(3,4-dimethylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 129253321
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
5-bromo-1-(3-bromo-4-methylpiperidin-1-yl)isoquinoline
CID 106543296
4-tert-butyl-1-(3,5-dibromo-2-pyridinyl)azepane
CID 113413840
2-(3-bromo-4-methylpiperidin-1-yl)pyrimidine
CID 102961086
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine (CID 102960994) is 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine is CC1CCN(c2ncc(Br)cc2Br)CC1Br.
What is the InChIKey of 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine?
The InChIKey is QCZNIIRYHBMOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br3N2/c1-7-2-3-16(6-10(7)14)11-9(13)4-8(12)5-15-11/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine?
3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine has a molecular weight of 412.95 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 102960994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).