5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine

C13H18BrFN2 — CID 104925342

IUPAC5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
SMILESCC(C)(C)C1CCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C13H18BrFN2/c1-13(2,3)9-4-5-17(8-9)12-11(15)6-10(14)7-16-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyMGZGYXYKQVKABY-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.86
Rot. Bonds1

About 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine

5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine (PubChem CID 104925342) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine.

Molecular Properties

Compound Name5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
PubChem CID104925342
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
SMILESCC(C)(C)C1CCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C13H18BrFN2/c1-13(2,3)9-4-5-17(8-9)12-11(15)6-10(14)7-16-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyMGZGYXYKQVKABY-UHFFFAOYSA-N
XLogP3.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
4-tert-butyl-1-(3,5-dibromo-2-pyridinyl)azepane
CID 113413840
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide
CID 163350293
5-bromo-2-(4-tert-butylpiperidin-1-yl)-3-nitropyridine
CID 62085266
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994184
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 104923920
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171994045
4-(5-bromo-3-fluoro-2-pyridinyl)morpholine-2-carbonitrile
CID 104924211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine?
The IUPAC name of 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine (CID 104925342) is 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine.
What is the SMILES notation for 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine?
The canonical SMILES for 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine is CC(C)(C)C1CCN(c2ncc(Br)cc2F)C1.
What is the InChIKey of 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine?
The InChIKey is MGZGYXYKQVKABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-13(2,3)9-4-5-17(8-9)12-11(15)6-10(14)7-16-12/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine?
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine has a molecular weight of 301.20 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine is sourced from PubChem (CID 104925342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).