[(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C14H18BrN3O2 — CID 97012580

IUPAC[(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN1c1ccc(Br)cn1)N1CCOCC1
InChIInChI=1S/C14H18BrN3O2/c15-11-3-4-13(16-10-11)18-5-1-2-12(18)14(19)17-6-8-20-9-7-17/h3-4,10,12H,1-2,5-9H2/t12-/m0/s1
InChIKeyMPOFTKIVJMKMPW-LBPRGKRZSA-N
MW340.22 g/mol
LogP1.67
Rot. Bonds2

About [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 97012580) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID97012580
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name[(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN1c1ccc(Br)cn1)N1CCOCC1
InChIInChI=1S/C14H18BrN3O2/c15-11-3-4-13(16-10-11)18-5-1-2-12(18)14(19)17-6-8-20-9-7-17/h3-4,10,12H,1-2,5-9H2/t12-/m0/s1
InChIKeyMPOFTKIVJMKMPW-LBPRGKRZSA-N
XLogP1.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 97012579
[(2S)-1-(4-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 99848877
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 86797169
[(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 97055534
morpholin-4-yl-[1-(2-nitrophenyl)pyrrolidin-2-yl]methanone
CID 56789582
tert-butyl (2S)-2-[4-(5-bromo-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 35375714
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 47017134
(3R,4S)-3-[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129483548
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-(1-prop-2-ynylpiperidin-2-yl)methanone
CID 55930430
4-(5-bromo-2-pyridinyl)morpholine-3-carbaldehyde
CID 174720095
[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 77096881
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 97012580) is [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1CCCN1c1ccc(Br)cn1)N1CCOCC1.
What is the InChIKey of [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is MPOFTKIVJMKMPW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-11-3-4-13(16-10-11)18-5-1-2-12(18)14(19)17-6-8-20-9-7-17/h3-4,10,12H,1-2,5-9H2/t12-/m0/s1.
What are the key properties of [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 340.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97012580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).