5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine

C12H16BrFN2 — CID 104924417

IUPAC5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine
SMILESCC1CCN(c2ncc(Br)cc2F)C(C)C1
InChIInChI=1S/C12H16BrFN2/c1-8-3-4-16(9(2)5-8)12-11(14)6-10(13)7-15-12/h6-9H,3-5H2,1-2H3
InChIKeyISPIXESAJUKBGA-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.61
Rot. Bonds1

About 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine

5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine (PubChem CID 104924417) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine.

Molecular Properties

Compound Name5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine
PubChem CID104924417
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine
SMILESCC1CCN(c2ncc(Br)cc2F)C(C)C1
InChIInChI=1S/C12H16BrFN2/c1-8-3-4-16(9(2)5-8)12-11(14)6-10(13)7-15-12/h6-9H,3-5H2,1-2H3
InChIKeyISPIXESAJUKBGA-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine
CID 55061469
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
1-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpiperidin-4-amine
CID 115313515
3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine
CID 62331827
[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80636143
[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62330220
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine
CID 79728793
4-(2,4-dimethylpiperidin-1-yl)-5-iodopyrimidine
CID 66318164
(2S)-1-(5-bromo-3-methoxy-2-pyridinyl)-2,4-dimethylpiperazine
CID 118555167

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine?
The IUPAC name of 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine (CID 104924417) is 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine.
What is the SMILES notation for 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine?
The canonical SMILES for 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine is CC1CCN(c2ncc(Br)cc2F)C(C)C1.
What is the InChIKey of 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine?
The InChIKey is ISPIXESAJUKBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-8-3-4-16(9(2)5-8)12-11(14)6-10(13)7-15-12/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine?
5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine has a molecular weight of 287.18 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine is sourced from PubChem (CID 104924417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).