(2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide

C10H12FN3O — CID 58763330

IUPAC(2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(F)n1)[C@@H]1CCCN1
InChIInChI=1S/C10H12FN3O/c11-8-4-1-5-9(13-8)14-10(15)7-3-2-6-12-7/h1,4-5,7,12H,2-3,6H2,(H,13,14,15)/t7-/m0/s1
InChIKeyDDIOSSGWXOKOAG-ZETCQYMHSA-N
MW209.22 g/mol
LogP0.91
Rot. Bonds2

About (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide

(2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 58763330) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID58763330
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name(2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(F)n1)[C@@H]1CCCN1
InChIInChI=1S/C10H12FN3O/c11-8-4-1-5-9(13-8)14-10(15)7-3-2-6-12-7/h1,4-5,7,12H,2-3,6H2,(H,13,14,15)/t7-/m0/s1
InChIKeyDDIOSSGWXOKOAG-ZETCQYMHSA-N
XLogP0.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide (CID 58763330) is (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(F)n1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is DDIOSSGWXOKOAG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-8-4-1-5-9(13-8)14-10(15)7-3-2-6-12-7/h1,4-5,7,12H,2-3,6H2,(H,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 209.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 58763330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).