3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine

C11H13BrF2N2 — CID 144555247

IUPAC3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine
SMILESFC1(F)CCN(CCc2cncc(Br)c2)C1
InChIInChI=1S/C11H13BrF2N2/c12-10-5-9(6-15-7-10)1-3-16-4-2-11(13,14)8-16/h5-7H,1-4,8H2
InChIKeyQSBGYFAHMRFIDY-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.73
Rot. Bonds3

About 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine

3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine (PubChem CID 144555247) has the molecular formula C11H13BrF2N2 and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine
PubChem CID144555247
Molecular FormulaC11H13BrF2N2
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC Name3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine
SMILESFC1(F)CCN(CCc2cncc(Br)c2)C1
InChIInChI=1S/C11H13BrF2N2/c12-10-5-9(6-15-7-10)1-3-16-4-2-11(13,14)8-16/h5-7H,1-4,8H2
InChIKeyQSBGYFAHMRFIDY-UHFFFAOYSA-N
XLogP2.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine?
The IUPAC name of 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine (CID 144555247) is 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine.
What is the SMILES notation for 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine?
The canonical SMILES for 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine is FC1(F)CCN(CCc2cncc(Br)c2)C1.
What is the InChIKey of 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine?
The InChIKey is QSBGYFAHMRFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2/c12-10-5-9(6-15-7-10)1-3-16-4-2-11(13,14)8-16/h5-7H,1-4,8H2.
What are the key properties of 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine?
3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine has a molecular weight of 291.14 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyridine is sourced from PubChem (CID 144555247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).