4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one

C10H12BrN3O2 — CID 168699602

IUPAC4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
SMILESCOc1cc(Br)cnc1N1CC(N)CC1=O
InChIInChI=1S/C10H12BrN3O2/c1-16-8-2-6(11)4-13-10(8)14-5-7(12)3-9(14)15/h2,4,7H,3,5,12H2,1H3
InChIKeySHQHQMCOJBBGTG-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.92
Rot. Bonds2

About 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one

4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168699602) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
PubChem CID168699602
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one
SMILESCOc1cc(Br)cnc1N1CC(N)CC1=O
InChIInChI=1S/C10H12BrN3O2/c1-16-8-2-6(11)4-13-10(8)14-5-7(12)3-9(14)15/h2,4,7H,3,5,12H2,1H3
InChIKeySHQHQMCOJBBGTG-UHFFFAOYSA-N
XLogP0.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168687878
1-(5-bromo-3-methoxy-2-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168500913
1-(5-bromo-3-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714145
4-amino-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168700882
4-amino-1-(4-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168699582
(2S)-1-(5-bromo-3-methoxy-2-pyridinyl)-2,4-dimethylpiperazine
CID 118555167
1-(5-bromo-3-fluoro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703201
4-amino-1-(8-methoxyquinolin-5-yl)pyrrolidin-2-one
CID 168699530
4-amino-1-(3,5-dibromophenyl)pyrrolidin-2-one
CID 168700989
4-amino-1-(4-bromo-5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168699533
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one
CID 168700953

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one (CID 168699602) is 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one is COc1cc(Br)cnc1N1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is SHQHQMCOJBBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-16-8-2-6(11)4-13-10(8)14-5-7(12)3-9(14)15/h2,4,7H,3,5,12H2,1H3.
What are the key properties of 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one?
4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 286.13 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-bromo-3-methoxy-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168699602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).