(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C14H13BrN2O2 — CID 60715504

IUPAC(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCC1c1ccncc1
InChIInChI=1S/C14H13BrN2O2/c15-13-4-3-12(19-13)14(18)17-9-1-2-11(17)10-5-7-16-8-6-10/h3-8,11H,1-2,9H2
InChIKeyAZZAXFWJXNWSTA-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.41
Rot. Bonds2

About (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 60715504) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID60715504
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCC1c1ccncc1
InChIInChI=1S/C14H13BrN2O2/c15-13-4-3-12(19-13)14(18)17-9-1-2-11(17)10-5-7-16-8-6-10/h3-8,11H,1-2,9H2
InChIKeyAZZAXFWJXNWSTA-UHFFFAOYSA-N
XLogP3.41
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51947990
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134
(4-ethylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939220
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 81483336
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60727625

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 60715504) is (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(Br)o1)N1CCCC1c1ccncc1.
What is the InChIKey of (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is AZZAXFWJXNWSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-13-4-3-12(19-13)14(18)17-9-1-2-11(17)10-5-7-16-8-6-10/h3-8,11H,1-2,9H2.
What are the key properties of (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 321.17 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 60715504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).