1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one

C16H14BrClN2O2 — CID 167409974

IUPAC1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one
SMILESCOc1nc(N2CCC(c3ccc(Cl)cc3)C2=O)ccc1Br
InChIInChI=1S/C16H14BrClN2O2/c1-22-15-13(17)6-7-14(19-15)20-9-8-12(16(20)21)10-2-4-11(18)5-3-10/h2-7,12H,8-9H2,1H3
InChIKeyAQKQKGDGLTVCQV-UHFFFAOYSA-N
MW381.66 g/mol
LogP4.03
Rot. Bonds3

About 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one

1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one (PubChem CID 167409974) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one
PubChem CID167409974
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC Name1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one
SMILESCOc1nc(N2CCC(c3ccc(Cl)cc3)C2=O)ccc1Br
InChIInChI=1S/C16H14BrClN2O2/c1-22-15-13(17)6-7-14(19-15)20-9-8-12(16(20)21)10-2-4-11(18)5-3-10/h2-7,12H,8-9H2,1H3
InChIKeyAQKQKGDGLTVCQV-UHFFFAOYSA-N
XLogP4.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one (CID 167409974) is 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one is COc1nc(N2CCC(c3ccc(Cl)cc3)C2=O)ccc1Br.
What is the InChIKey of 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one?
The InChIKey is AQKQKGDGLTVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-22-15-13(17)6-7-14(19-15)20-9-8-12(16(20)21)10-2-4-11(18)5-3-10/h2-7,12H,8-9H2,1H3.
What are the key properties of 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one?
1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one has a molecular weight of 381.66 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 167409974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).