4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one

C10H10BrClN2O — CID 168505603

IUPAC4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(Cl)nc1
InChIInChI=1S/C10H10BrClN2O/c11-4-7-3-10(15)14(6-7)8-1-2-9(12)13-5-8/h1-2,5,7H,3-4,6H2
InChIKeyVDMJQJDGAJVSGJ-UHFFFAOYSA-N
MW289.56 g/mol
LogP2.48
Rot. Bonds2

About 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one

4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one (PubChem CID 168505603) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
PubChem CID168505603
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1ccc(Cl)nc1
InChIInChI=1S/C10H10BrClN2O/c11-4-7-3-10(15)14(6-7)8-1-2-9(12)13-5-8/h1-2,5,7H,3-4,6H2
InChIKeyVDMJQJDGAJVSGJ-UHFFFAOYSA-N
XLogP2.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 52.48
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-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
4-(bromomethyl)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168505091
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(bromomethyl)-1-(6-chloropyrimidin-4-yl)pyrrolidin-2-one
CID 168506043
4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168505625
4-(bromomethyl)-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 168504300
1-(4-bromo-2-chlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505646
1-(2H-benzotriazol-5-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505547
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
4-(bromomethyl)-1-(3,5-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168505634

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one (CID 168505603) is 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1ccc(Cl)nc1.
What is the InChIKey of 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is VDMJQJDGAJVSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c11-4-7-3-10(15)14(6-7)8-1-2-9(12)13-5-8/h1-2,5,7H,3-4,6H2.
What are the key properties of 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 289.56 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168505603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).