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

C10H12BrN3O2 — CID 168664180

IUPAC1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1cncc(Br)c1N1CC(CO)CC1=O
InChIInChI=1S/C10H12BrN3O2/c11-7-2-13-3-8(12)10(7)14-4-6(5-15)1-9(14)16/h2-3,6,15H,1,4-5,12H2
InChIKeyZTANKFITUDXZJY-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.77
Rot. Bonds2

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

1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168664180) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168664180
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESNc1cncc(Br)c1N1CC(CO)CC1=O
InChIInChI=1S/C10H12BrN3O2/c11-7-2-13-3-8(12)10(7)14-4-6(5-15)1-9(14)16/h2-3,6,15H,1,4-5,12H2
InChIKeyZTANKFITUDXZJY-UHFFFAOYSA-N
XLogP0.77
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

S-[[1-(3,5-diamino-4-pyridinyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668918
1-(2-amino-4,5-dibromophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663363
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
1-(2-amino-5-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663950
1-(2-amino-4,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662651
1-(6-amino-2,3-difluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663375
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
1-(4-amino-5-bromo-3-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672242
1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663841
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(5-bromo-2-methoxy-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662455

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168664180) is 1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is Nc1cncc(Br)c1N1CC(CO)CC1=O.
What is the InChIKey of 1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is ZTANKFITUDXZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-7-2-13-3-8(12)10(7)14-4-6(5-15)1-9(14)16/h2-3,6,15H,1,4-5,12H2.
What are the key properties of 1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 286.13 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168664180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).