1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one

C10H8BrClN4O — CID 168690046

IUPAC1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nc2cccc(Br)n2n1
InChIInChI=1S/C10H8BrClN4O/c11-7-2-1-3-8-13-10(14-16(7)8)15-5-6(12)4-9(15)17/h1-3,6H,4-5H2
InChIKeyPXNIIRJMMWDHPS-UHFFFAOYSA-N
MW315.56 g/mol
LogP1.84
Rot. Bonds1

About 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one

1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one (PubChem CID 168690046) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one
PubChem CID168690046
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1nc2cccc(Br)n2n1
InChIInChI=1S/C10H8BrClN4O/c11-7-2-1-3-8-13-10(14-16(7)8)15-5-6(12)4-9(15)17/h1-3,6H,4-5H2
InChIKeyPXNIIRJMMWDHPS-UHFFFAOYSA-N
XLogP1.84
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704149
1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168689770
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
4-chloro-1-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 168688096
1-(5-bromo-1,3-benzothiazol-2-yl)-4-chloropyrrolidin-2-one
CID 168689967
4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168688452
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
4-chloro-1-(3,5-dibromo-2-pyridinyl)pyrrolidin-2-one
CID 168689496
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one (CID 168690046) is 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one is O=C1CC(Cl)CN1c1nc2cccc(Br)n2n1.
What is the InChIKey of 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one?
The InChIKey is PXNIIRJMMWDHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c11-7-2-1-3-8-13-10(14-16(7)8)15-5-6(12)4-9(15)17/h1-3,6H,4-5H2.
What are the key properties of 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one?
1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one has a molecular weight of 315.56 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one is sourced from PubChem (CID 168690046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).