5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine

C11H14BrFN2 — CID 104814136

IUPAC5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine
SMILESFC1(Cc2ccc(Br)cn2)CCCNC1
InChIInChI=1S/C11H14BrFN2/c12-9-2-3-10(15-7-9)6-11(13)4-1-5-14-8-11/h2-3,7,14H,1,4-6,8H2
InChIKeyVHUAQEIQSUPXGD-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.48
Rot. Bonds2

About 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine

5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine (PubChem CID 104814136) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine
PubChem CID104814136
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine
SMILESFC1(Cc2ccc(Br)cn2)CCCNC1
InChIInChI=1S/C11H14BrFN2/c12-9-2-3-10(15-7-9)6-11(13)4-1-5-14-8-11/h2-3,7,14H,1,4-6,8H2
InChIKeyVHUAQEIQSUPXGD-UHFFFAOYSA-N
XLogP2.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568711
3-fluoro-3-(thiophen-2-ylmethyl)piperidine
CID 83819153
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoropiperidine
CID 106273472
4-[(3-fluoropiperidin-3-yl)methyl]phenol
CID 112562864
2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
CID 104800613
1-[(5-bromo-2-pyridinyl)methyl]cycloheptane-1-carboxylic acid
CID 113456057
1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethylpiperazine
CID 104812324
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepane
CID 115741251
3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine
CID 104814153
3-[(1-ethylimidazol-2-yl)methyl]-3-fluoropiperidine
CID 112563016
(3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine
CID 144644236

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine?
The IUPAC name of 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine (CID 104814136) is 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine?
The canonical SMILES for 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine is FC1(Cc2ccc(Br)cn2)CCCNC1.
What is the InChIKey of 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine?
The InChIKey is VHUAQEIQSUPXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-9-2-3-10(15-7-9)6-11(13)4-1-5-14-8-11/h2-3,7,14H,1,4-6,8H2.
What are the key properties of 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine?
5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine has a molecular weight of 273.15 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-fluoropiperidin-3-yl)methyl]pyridine is sourced from PubChem (CID 104814136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).