5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine

C9H12FN3 — CID 88982634

IUPAC5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine
SMILESNc1ncc(F)cc1C1CCCN1
InChIInChI=1S/C9H12FN3/c10-6-4-7(9(11)13-5-6)8-2-1-3-12-8/h4-5,8,12H,1-3H2,(H2,11,13)
InChIKeyRZMNQBNPWYCFSA-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.23
Rot. Bonds1

About 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine

5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine (PubChem CID 88982634) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine
PubChem CID88982634
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine
SMILESNc1ncc(F)cc1C1CCCN1
InChIInChI=1S/C9H12FN3/c10-6-4-7(9(11)13-5-6)8-2-1-3-12-8/h4-5,8,12H,1-3H2,(H2,11,13)
InChIKeyRZMNQBNPWYCFSA-UHFFFAOYSA-N
XLogP1.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine?
The IUPAC name of 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine (CID 88982634) is 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine.
What is the SMILES notation for 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine?
The canonical SMILES for 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine is Nc1ncc(F)cc1C1CCCN1.
What is the InChIKey of 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine?
The InChIKey is RZMNQBNPWYCFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-6-4-7(9(11)13-5-6)8-2-1-3-12-8/h4-5,8,12H,1-3H2,(H2,11,13).
What are the key properties of 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine?
5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine has a molecular weight of 181.21 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-pyrrolidin-2-ylpyridin-2-amine is sourced from PubChem (CID 88982634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).