1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one

C10H11BrN2O — CID 177346413

IUPAC1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(Br)nc1N1CCCC1=O
InChIInChI=1S/C10H11BrN2O/c1-7-4-5-8(11)12-10(7)13-6-2-3-9(13)14/h4-5H,2-3,6H2,1H3
InChIKeyZTHXEQDJABDSFU-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.28
Rot. Bonds1

About 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one

1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 177346413) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID177346413
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1ccc(Br)nc1N1CCCC1=O
InChIInChI=1S/C10H11BrN2O/c1-7-4-5-8(11)12-10(7)13-6-2-3-9(13)14/h4-5H,2-3,6H2,1H3
InChIKeyZTHXEQDJABDSFU-UHFFFAOYSA-N
XLogP2.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 166608936
1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
CID 12833278
ethane;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 142348344
1-(5-amino-2-bromo-4-methylphenyl)pyrrolidin-2-one
CID 104815334
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
1-(5-ethyl-6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 166909775
1-(4,5-dimethyl-3-pyridinyl)pyrrolidin-2-one
CID 171622272
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one (CID 177346413) is 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one is Cc1ccc(Br)nc1N1CCCC1=O.
What is the InChIKey of 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is ZTHXEQDJABDSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-7-4-5-8(11)12-10(7)13-6-2-3-9(13)14/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one?
1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 255.11 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 177346413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).