[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone

C14H13BrN2O3 — CID 129418013

IUPAC[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC[C@H](Oc2ncccc2Br)C1
InChIInChI=1S/C14H13BrN2O3/c15-12-2-1-5-16-13(12)20-11-3-6-17(8-11)14(18)10-4-7-19-9-10/h1-2,4-5,7,9,11H,3,6,8H2/t11-/m0/s1
InChIKeyWARPYXFOCKQJKM-NSHDSACASA-N
MW337.17 g/mol
LogP2.73
Rot. Bonds3

About [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone

[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone (PubChem CID 129418013) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone
PubChem CID129418013
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC[C@H](Oc2ncccc2Br)C1
InChIInChI=1S/C14H13BrN2O3/c15-12-2-1-5-16-13(12)20-11-3-6-17(8-11)14(18)10-4-7-19-9-10/h1-2,4-5,7,9,11H,3,6,8H2/t11-/m0/s1
InChIKeyWARPYXFOCKQJKM-NSHDSACASA-N
XLogP2.73
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 129417980
[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 129417351
1-[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 129418139
[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-[2-(difluoromethylsulfanyl)phenyl]methanone
CID 129416252
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 71799430
[1-[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 129417668
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone
CID 122258964

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone (CID 129418013) is [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CC[C@H](Oc2ncccc2Br)C1.
What is the InChIKey of [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is WARPYXFOCKQJKM-NSHDSACASA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-12-2-1-5-16-13(12)20-11-3-6-17(8-11)14(18)10-4-7-19-9-10/h1-2,4-5,7,9,11H,3,6,8H2/t11-/m0/s1.
What are the key properties of [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone?
[(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 337.17 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 129418013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).