2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine

C11H13BrClFN2 — CID 114682797

IUPAC2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine
SMILESCC1CN(c2ncc(Cl)cc2F)CCC1Br
InChIInChI=1S/C11H13BrClFN2/c1-7-6-16(3-2-9(7)12)11-10(14)4-8(13)5-15-11/h4-5,7,9H,2-3,6H2,1H3
InChIKeyOWBKGFQOBVBQPO-UHFFFAOYSA-N
MW307.59 g/mol
LogP3.48
Rot. Bonds1

About 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine

2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine (PubChem CID 114682797) has the molecular formula C11H13BrClFN2 and a molecular weight of 307.59 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine
PubChem CID114682797
Molecular FormulaC11H13BrClFN2
Molecular Weight307.59 g/mol
Exact Mass305.99
IUPAC Name2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine
SMILESCC1CN(c2ncc(Cl)cc2F)CCC1Br
InChIInChI=1S/C11H13BrClFN2/c1-7-6-16(3-2-9(7)12)11-10(14)4-8(13)5-15-11/h4-5,7,9H,2-3,6H2,1H3
InChIKeyOWBKGFQOBVBQPO-UHFFFAOYSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine?
The IUPAC name of 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine (CID 114682797) is 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine.
What is the SMILES notation for 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine?
The canonical SMILES for 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine is CC1CN(c2ncc(Cl)cc2F)CCC1Br.
What is the InChIKey of 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine?
The InChIKey is OWBKGFQOBVBQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClFN2/c1-7-6-16(3-2-9(7)12)11-10(14)4-8(13)5-15-11/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine?
2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine has a molecular weight of 307.59 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine is sourced from PubChem (CID 114682797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).