5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine

C15H21BrFN3 — CID 104923920

IUPAC5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESFc1cc(Br)cnc1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H21BrFN3/c16-13-9-14(17)15(18-10-13)20-7-3-12(4-8-20)11-19-5-1-2-6-19/h9-10,12H,1-8,11H2
InChIKeyQVQUJBSKJICOAT-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.30
Rot. Bonds3

About 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine

5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine (PubChem CID 104923920) has the molecular formula C15H21BrFN3 and a molecular weight of 342.26 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
PubChem CID104923920
Molecular FormulaC15H21BrFN3
Molecular Weight342.26 g/mol
Exact Mass341.09
IUPAC Name5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
SMILESFc1cc(Br)cnc1N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H21BrFN3/c16-13-9-14(17)15(18-10-13)20-7-3-12(4-8-20)11-19-5-1-2-6-19/h9-10,12H,1-8,11H2
InChIKeyQVQUJBSKJICOAT-UHFFFAOYSA-N
XLogP3.30
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
The IUPAC name of 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine (CID 104923920) is 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine is Fc1cc(Br)cnc1N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
The InChIKey is QVQUJBSKJICOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3/c16-13-9-14(17)15(18-10-13)20-7-3-12(4-8-20)11-19-5-1-2-6-19/h9-10,12H,1-8,11H2.
What are the key properties of 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine?
5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine has a molecular weight of 342.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 104923920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).