5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine

C11H14BrFN2 — CID 164659359

IUPAC5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
SMILESFC1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C11H14BrFN2/c12-9-1-2-11(14-7-9)8-15-5-3-10(13)4-6-15/h1-2,7,10H,3-6,8H2
InChIKeyMPZUPLKKPIQLMF-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.78
Rot. Bonds2

About 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine

5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine (PubChem CID 164659359) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
PubChem CID164659359
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine
SMILESFC1CCN(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C11H14BrFN2/c12-9-1-2-11(14-7-9)8-15-5-3-10(13)4-6-15/h1-2,7,10H,3-6,8H2
InChIKeyMPZUPLKKPIQLMF-UHFFFAOYSA-N
XLogP2.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methanol
CID 115622436
2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
5-bromo-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 113234614
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898383
N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104798203
5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 133302563
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 115642522
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
5-bromo-2-(bromomethyl)pyridine;1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 158558565
6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine (CID 164659359) is 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine is FC1CCN(Cc2ccc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine?
The InChIKey is MPZUPLKKPIQLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-9-1-2-11(14-7-9)8-15-5-3-10(13)4-6-15/h1-2,7,10H,3-6,8H2.
What are the key properties of 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine?
5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine has a molecular weight of 273.15 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-fluoropiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 164659359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).