4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine

C9H10BrFN2 — CID 130153359

IUPAC4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine
SMILESFc1cnc(C2CCNC2)cc1Br
InChIInChI=1S/C9H10BrFN2/c10-7-3-9(13-5-8(7)11)6-1-2-12-4-6/h3,5-6,12H,1-2,4H2
InChIKeyVWINLZPILZRQNU-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.06
Rot. Bonds1

About 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine

4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine (PubChem CID 130153359) has the molecular formula C9H10BrFN2 and a molecular weight of 245.09 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine
PubChem CID130153359
Molecular FormulaC9H10BrFN2
Molecular Weight245.09 g/mol
Exact Mass244.00
IUPAC Name4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine
SMILESFc1cnc(C2CCNC2)cc1Br
InChIInChI=1S/C9H10BrFN2/c10-7-3-9(13-5-8(7)11)6-1-2-12-4-6/h3,5-6,12H,1-2,4H2
InChIKeyVWINLZPILZRQNU-UHFFFAOYSA-N
XLogP2.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine?
The IUPAC name of 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine (CID 130153359) is 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine.
What is the SMILES notation for 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine?
The canonical SMILES for 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine is Fc1cnc(C2CCNC2)cc1Br.
What is the InChIKey of 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine?
The InChIKey is VWINLZPILZRQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2/c10-7-3-9(13-5-8(7)11)6-1-2-12-4-6/h3,5-6,12H,1-2,4H2.
What are the key properties of 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine?
4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine has a molecular weight of 245.09 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-pyrrolidin-3-ylpyridine is sourced from PubChem (CID 130153359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).