5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine

C12H16BrFN2 — CID 104924733

IUPAC5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
SMILESCC(C)C1CCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C12H16BrFN2/c1-8(2)9-3-4-16(7-9)12-11(14)5-10(13)6-15-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyBZWRHYWEGQDYKK-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.47
Rot. Bonds2

About 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine

5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine (PubChem CID 104924733) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
PubChem CID104924733
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
SMILESCC(C)C1CCN(c2ncc(Br)cc2F)C1
InChIInChI=1S/C12H16BrFN2/c1-8(2)9-3-4-16(7-9)12-11(14)5-10(13)6-15-12/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyBZWRHYWEGQDYKK-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.47
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-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342
5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine
CID 58431434
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 113419468
[5-bromo-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methanol
CID 103501414
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
1-[5-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 114035444
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994184
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine (CID 104924733) is 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine is CC(C)C1CCN(c2ncc(Br)cc2F)C1.
What is the InChIKey of 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine?
The InChIKey is BZWRHYWEGQDYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-8(2)9-3-4-16(7-9)12-11(14)5-10(13)6-15-12/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine?
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine has a molecular weight of 287.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 104924733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).