1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one

C9H8BrClN2O — CID 168689770

IUPAC1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cccc(Br)n1
InChIInChI=1S/C9H8BrClN2O/c10-7-2-1-3-8(12-7)13-5-6(11)4-9(13)14/h1-3,6H,4-5H2
InChIKeyDMVZXOHOJWMWLQ-UHFFFAOYSA-N
MW275.53 g/mol
LogP2.19
Rot. Bonds1

About 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one

1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one (PubChem CID 168689770) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one
PubChem CID168689770
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1cccc(Br)n1
InChIInChI=1S/C9H8BrClN2O/c10-7-2-1-3-8(12-7)13-5-6(11)4-9(13)14/h1-3,6H,4-5H2
InChIKeyDMVZXOHOJWMWLQ-UHFFFAOYSA-N
XLogP2.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one
CID 168690046
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168688188
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
4-amino-2-bromo-6-(4-chloro-2-oxopyrrolidin-1-yl)pyridine-3-carbonitrile
CID 168689032
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
4-chloro-1-isoquinolin-8-ylpyrrolidin-2-one
CID 168689587
1-(6-amino-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664121

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one (CID 168689770) is 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one is O=C1CC(Cl)CN1c1cccc(Br)n1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one?
The InChIKey is DMVZXOHOJWMWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c10-7-2-1-3-8(12-7)13-5-6(11)4-9(13)14/h1-3,6H,4-5H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one?
1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one has a molecular weight of 275.53 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168689770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).