3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine

C11H14BrFN2O — CID 67623926

IUPAC3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine
SMILESCC(Oc1cnc(F)c(Br)c1)[C@@H]1CCCN1
InChIInChI=1S/C11H14BrFN2O/c1-7(10-3-2-4-14-10)16-8-5-9(12)11(13)15-6-8/h5-7,10,14H,2-4H2,1H3/t7?,10-/m0/s1
InChIKeyWGRQJAPCNSIQIN-MHPPCMCBSA-N
MW289.15 g/mol
LogP2.50
Rot. Bonds3

About 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine

3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine (PubChem CID 67623926) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine.

Molecular Properties

Compound Name3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine
PubChem CID67623926
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine
SMILESCC(Oc1cnc(F)c(Br)c1)[C@@H]1CCCN1
InChIInChI=1S/C11H14BrFN2O/c1-7(10-3-2-4-14-10)16-8-5-9(12)11(13)15-6-8/h5-7,10,14H,2-4H2,1H3/t7?,10-/m0/s1
InChIKeyWGRQJAPCNSIQIN-MHPPCMCBSA-N
XLogP2.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine?
The IUPAC name of 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine (CID 67623926) is 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine.
What is the SMILES notation for 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine?
The canonical SMILES for 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine is CC(Oc1cnc(F)c(Br)c1)[C@@H]1CCCN1.
What is the InChIKey of 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine?
The InChIKey is WGRQJAPCNSIQIN-MHPPCMCBSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7(10-3-2-4-14-10)16-8-5-9(12)11(13)15-6-8/h5-7,10,14H,2-4H2,1H3/t7?,10-/m0/s1.
What are the key properties of 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine?
3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine has a molecular weight of 289.15 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine is sourced from PubChem (CID 67623926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).