5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one

C11H8BrClN2O — CID 62470417

IUPAC5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1cccnc1Cl
InChIInChI=1S/C11H8BrClN2O/c12-9-3-4-10(16)15(7-9)6-8-2-1-5-14-11(8)13/h1-5,7H,6H2
InChIKeyAQLSUYGIOVXRQO-UHFFFAOYSA-N
MW299.56 g/mol
LogP2.71
Rot. Bonds2

About 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one

5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one (PubChem CID 62470417) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one
PubChem CID62470417
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1cccnc1Cl
InChIInChI=1S/C11H8BrClN2O/c12-9-3-4-10(16)15(7-9)6-8-2-1-5-14-11(8)13/h1-5,7H,6H2
InChIKeyAQLSUYGIOVXRQO-UHFFFAOYSA-N
XLogP2.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one (CID 62470417) is 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1cccnc1Cl.
What is the InChIKey of 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one?
The InChIKey is AQLSUYGIOVXRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-9-3-4-10(16)15(7-9)6-8-2-1-5-14-11(8)13/h1-5,7H,6H2.
What are the key properties of 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one?
5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one has a molecular weight of 299.56 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2-chloro-3-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 62470417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).