2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine

C13H19FN2 — CID 90379546

IUPAC2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine
SMILESCC(C)c1cccc(CN2CC[C@@H](F)C2)n1
InChIInChI=1S/C13H19FN2/c1-10(2)13-5-3-4-12(15-13)9-16-7-6-11(14)8-16/h3-5,10-11H,6-9H2,1-2H3/t11-/m1/s1
InChIKeyCVSUJKBYMJFRHC-LLVKDONJSA-N
MW222.31 g/mol
LogP2.75
Rot. Bonds3

About 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine

2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine (PubChem CID 90379546) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine
PubChem CID90379546
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine
SMILESCC(C)c1cccc(CN2CC[C@@H](F)C2)n1
InChIInChI=1S/C13H19FN2/c1-10(2)13-5-3-4-12(15-13)9-16-7-6-11(14)8-16/h3-5,10-11H,6-9H2,1-2H3/t11-/m1/s1
InChIKeyCVSUJKBYMJFRHC-LLVKDONJSA-N
XLogP2.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine?
The IUPAC name of 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine (CID 90379546) is 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine.
What is the SMILES notation for 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine?
The canonical SMILES for 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine is CC(C)c1cccc(CN2CC[C@@H](F)C2)n1.
What is the InChIKey of 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine?
The InChIKey is CVSUJKBYMJFRHC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10(2)13-5-3-4-12(15-13)9-16-7-6-11(14)8-16/h3-5,10-11H,6-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine?
2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine has a molecular weight of 222.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-6-propan-2-ylpyridine is sourced from PubChem (CID 90379546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).