2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine

C11H14BrFN2 — CID 80672753

IUPAC2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
SMILESFc1ccc(N2CCCC(CBr)C2)nc1
InChIInChI=1S/C11H14BrFN2/c12-6-9-2-1-5-15(8-9)11-4-3-10(13)7-14-11/h3-4,7,9H,1-2,5-6,8H2
InChIKeyOSGRINPIFBRISG-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.83
Rot. Bonds2

About 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine

2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine (PubChem CID 80672753) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
PubChem CID80672753
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
SMILESFc1ccc(N2CCCC(CBr)C2)nc1
InChIInChI=1S/C11H14BrFN2/c12-6-9-2-1-5-15(8-9)11-4-3-10(13)7-14-11/h3-4,7,9H,1-2,5-6,8H2
InChIKeyOSGRINPIFBRISG-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 61313343
2-[4-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80668710
5-fluoro-2-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 124957202
5-fluoro-2-[3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 110103363
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
2-[3-(bromomethyl)piperidin-1-yl]pyrazine
CID 80674587
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 81210294
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523
4-chloro-1-(5-fluoro-2-pyridinyl)azepane
CID 131020139
6-[3-(fluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 121200980
2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
CID 114682637

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine?
The IUPAC name of 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine (CID 80672753) is 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine?
The canonical SMILES for 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine is Fc1ccc(N2CCCC(CBr)C2)nc1.
What is the InChIKey of 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine?
The InChIKey is OSGRINPIFBRISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-6-9-2-1-5-15(8-9)11-4-3-10(13)7-14-11/h3-4,7,9H,1-2,5-6,8H2.
What are the key properties of 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine?
2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine has a molecular weight of 273.15 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine is sourced from PubChem (CID 80672753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).