5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine

C12H18FN3 — CID 68909947

IUPAC5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
SMILESCC(C)N1CCCC1c1cc(F)cnc1N
InChIInChI=1S/C12H18FN3/c1-8(2)16-5-3-4-11(16)10-6-9(13)7-15-12(10)14/h6-8,11H,3-5H2,1-2H3,(H2,14,15)
InChIKeyYLJXDDACEDXRRD-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.35
Rot. Bonds2

About 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine

5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine (PubChem CID 68909947) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
PubChem CID68909947
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine
SMILESCC(C)N1CCCC1c1cc(F)cnc1N
InChIInChI=1S/C12H18FN3/c1-8(2)16-5-3-4-11(16)10-6-9(13)7-15-12(10)14/h6-8,11H,3-5H2,1-2H3,(H2,14,15)
InChIKeyYLJXDDACEDXRRD-UHFFFAOYSA-N
XLogP2.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine?
The IUPAC name of 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine (CID 68909947) is 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine is CC(C)N1CCCC1c1cc(F)cnc1N.
What is the InChIKey of 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine?
The InChIKey is YLJXDDACEDXRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-8(2)16-5-3-4-11(16)10-6-9(13)7-15-12(10)14/h6-8,11H,3-5H2,1-2H3,(H2,14,15).
What are the key properties of 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine?
5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine has a molecular weight of 223.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-propan-2-ylpyrrolidin-2-yl)pyridin-2-amine is sourced from PubChem (CID 68909947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).