3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine

C10H12BrFN2 — CID 104814153

IUPAC3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine
SMILESFC1(Cc2cncc(Br)c2)CCNC1
InChIInChI=1S/C10H12BrFN2/c11-9-3-8(5-14-6-9)4-10(12)1-2-13-7-10/h3,5-6,13H,1-2,4,7H2
InChIKeyNQBNFRHXODEOCI-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.09
Rot. Bonds2

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

3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine (PubChem CID 104814153) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine
PubChem CID104814153
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine
SMILESFC1(Cc2cncc(Br)c2)CCNC1
InChIInChI=1S/C10H12BrFN2/c11-9-3-8(5-14-6-9)4-10(12)1-2-13-7-10/h3,5-6,13H,1-2,4,7H2
InChIKeyNQBNFRHXODEOCI-UHFFFAOYSA-N
XLogP2.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine?
The IUPAC name of 3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine (CID 104814153) is 3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine?
The canonical SMILES for 3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine is FC1(Cc2cncc(Br)c2)CCNC1.
What is the InChIKey of 3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine?
The InChIKey is NQBNFRHXODEOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2/c11-9-3-8(5-14-6-9)4-10(12)1-2-13-7-10/h3,5-6,13H,1-2,4,7H2.
What are the key properties of 3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine?
3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine has a molecular weight of 259.12 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine is sourced from PubChem (CID 104814153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).