3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine

C9H10BrFN2 — CID 46318078

IUPAC3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine
SMILESFc1nc(N2CCCC2)ccc1Br
InChIInChI=1S/C9H10BrFN2/c10-7-3-4-8(12-9(7)11)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKeyLMZXGFVWFGHXJZ-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.58
Rot. Bonds1

About 3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine

3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine (PubChem CID 46318078) has the molecular formula C9H10BrFN2 and a molecular weight of 245.09 g/mol. Its IUPAC name is 3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine
PubChem CID46318078
Molecular FormulaC9H10BrFN2
Molecular Weight245.09 g/mol
Exact Mass244.00
IUPAC Name3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine
SMILESFc1nc(N2CCCC2)ccc1Br
InChIInChI=1S/C9H10BrFN2/c10-7-3-4-8(12-9(7)11)13-5-1-2-6-13/h3-4H,1-2,5-6H2
InChIKeyLMZXGFVWFGHXJZ-UHFFFAOYSA-N
XLogP2.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine (CID 46318078) is 3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine is Fc1nc(N2CCCC2)ccc1Br.
What is the InChIKey of 3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine?
The InChIKey is LMZXGFVWFGHXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2/c10-7-3-4-8(12-9(7)11)13-5-1-2-6-13/h3-4H,1-2,5-6H2.
What are the key properties of 3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine?
3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine has a molecular weight of 245.09 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 46318078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).