5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one

C13H13BrN2O2 — CID 75503011

IUPAC5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one
SMILESCCOc1cccc(Cn2cc(Br)ccc2=O)n1
InChIInChI=1S/C13H13BrN2O2/c1-2-18-12-5-3-4-11(15-12)9-16-8-10(14)6-7-13(16)17/h3-8H,2,9H2,1H3
InChIKeyDRXRSACOGLJOCJ-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.45
Rot. Bonds4

About 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one

5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one (PubChem CID 75503011) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one
PubChem CID75503011
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one
SMILESCCOc1cccc(Cn2cc(Br)ccc2=O)n1
InChIInChI=1S/C13H13BrN2O2/c1-2-18-12-5-3-4-11(15-12)9-16-8-10(14)6-7-13(16)17/h3-8H,2,9H2,1H3
InChIKeyDRXRSACOGLJOCJ-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one (CID 75503011) is 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one is CCOc1cccc(Cn2cc(Br)ccc2=O)n1.
What is the InChIKey of 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one?
The InChIKey is DRXRSACOGLJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-2-18-12-5-3-4-11(15-12)9-16-8-10(14)6-7-13(16)17/h3-8H,2,9H2,1H3.
What are the key properties of 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one?
5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one has a molecular weight of 309.16 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(6-ethoxy-2-pyridinyl)methyl]pyridin-2-one is sourced from PubChem (CID 75503011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).