1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one

C10H11BrClN3O — CID 168687986

IUPAC1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
SMILESCc1c(Br)cnc(N)c1N1CC(Cl)CC1=O
InChIInChI=1S/C10H11BrClN3O/c1-5-7(11)3-14-10(13)9(5)15-4-6(12)2-8(15)16/h3,6H,2,4H2,1H3,(H2,13,14)
InChIKeyDZFVPWMXTOMCKK-UHFFFAOYSA-N
MW304.58 g/mol
LogP2.08
Rot. Bonds1

About 1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one

1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one (PubChem CID 168687986) has the molecular formula C10H11BrClN3O and a molecular weight of 304.58 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
PubChem CID168687986
Molecular FormulaC10H11BrClN3O
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Name1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
SMILESCc1c(Br)cnc(N)c1N1CC(Cl)CC1=O
InChIInChI=1S/C10H11BrClN3O/c1-5-7(11)3-14-10(13)9(5)15-4-6(12)2-8(15)16/h3,6H,2,4H2,1H3,(H2,13,14)
InChIKeyDZFVPWMXTOMCKK-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 52.08
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-bromo-5-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688119
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
1-(3-bromo-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688351
4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one
CID 168688290
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
1-(2-bromo-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688070
1-(4-bromo-6-chloropyridazin-3-yl)-4-chloropyrrolidin-2-one
CID 168689527
4-chloro-1-(2,4-dibromo-3,5-dimethylphenyl)pyrrolidin-2-one
CID 168687962
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 168688173
1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688168
1-(5-bromo-3-methoxy-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168687878

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one (CID 168687986) is 1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one is Cc1c(Br)cnc(N)c1N1CC(Cl)CC1=O.
What is the InChIKey of 1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one?
The InChIKey is DZFVPWMXTOMCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O/c1-5-7(11)3-14-10(13)9(5)15-4-6(12)2-8(15)16/h3,6H,2,4H2,1H3,(H2,13,14).
What are the key properties of 1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one?
1-(2-amino-5-bromo-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one has a molecular weight of 304.58 g/mol, XLogP of 2.08, 1 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-4-methyl-3-pyridinyl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168687986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).