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

C10H11Br2N3O — CID 168505981

IUPAC1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESNc1ncc(Br)cc1N1CC(CBr)CC1=O
InChIInChI=1S/C10H11Br2N3O/c11-3-6-1-9(16)15(5-6)8-2-7(12)4-14-10(8)13/h2,4,6H,1,3,5H2,(H2,13,14)
InChIKeyRDRACHMVQMATBX-UHFFFAOYSA-N
MW349.03 g/mol
LogP2.17
Rot. Bonds2

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

1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one (PubChem CID 168505981) has the molecular formula C10H11Br2N3O and a molecular weight of 349.03 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
PubChem CID168505981
Molecular FormulaC10H11Br2N3O
Molecular Weight349.03 g/mol
Exact Mass346.93
IUPAC Name1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
SMILESNc1ncc(Br)cc1N1CC(CBr)CC1=O
InChIInChI=1S/C10H11Br2N3O/c11-3-6-1-9(16)15(5-6)8-2-7(12)4-14-10(8)13/h2,4,6H,1,3,5H2,(H2,13,14)
InChIKeyRDRACHMVQMATBX-UHFFFAOYSA-N
XLogP2.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.03
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663950
1-(2-amino-5-bromophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505649
4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168661090
4-(aminomethyl)-1-(5-bromo-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659739
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-bromopyridine-2-carboxylic acid
CID 168661089
4-(bromomethyl)-1-(4,6-diaminopyrimidin-5-yl)pyrrolidin-2-one
CID 168505923
1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505646
methyl 5-bromo-3-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 168670004
4-(bromomethyl)-1-(6-methoxy-4-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504650
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one (CID 168505981) is 1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one is Nc1ncc(Br)cc1N1CC(CBr)CC1=O.
What is the InChIKey of 1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one?
The InChIKey is RDRACHMVQMATBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3O/c11-3-6-1-9(16)15(5-6)8-2-7(12)4-14-10(8)13/h2,4,6H,1,3,5H2,(H2,13,14).
What are the key properties of 1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one?
1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one has a molecular weight of 349.03 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168505981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).