(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C14H13FN2OS — CID 115497489

IUPAC(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(F)n1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H13FN2OS/c15-13-5-1-3-11(16-13)14(18)17-7-2-4-12(17)10-6-8-19-9-10/h1,3,5-6,8-9,12H,2,4,7H2
InChIKeyBWAOVPZKURJFNQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.26
Rot. Bonds2

About (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 115497489) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID115497489
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(F)n1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H13FN2OS/c15-13-5-1-3-11(16-13)14(18)17-7-2-4-12(17)10-6-8-19-9-10/h1,3,5-6,8-9,12H,2,4,7H2
InChIKeyBWAOVPZKURJFNQ-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 106544997
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94480249
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323386
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115497518

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 115497489) is (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is O=C(c1cccc(F)n1)N1CCCC1c1ccsc1.
What is the InChIKey of (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is BWAOVPZKURJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c15-13-5-1-3-11(16-13)14(18)17-7-2-4-12(17)10-6-8-19-9-10/h1,3,5-6,8-9,12H,2,4,7H2.
What are the key properties of (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 115497489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).