5-bromo-1-propylpyridin-2-one

C8H10BrNO — CID 18755921

IUPAC5-bromo-1-propylpyridin-2-one
SMILESCCCn1cc(Br)ccc1=O
InChIInChI=1S/C8H10BrNO/c1-2-5-10-6-7(9)3-4-8(10)11/h3-4,6H,2,5H2,1H3
InChIKeyVIQPNWPNGXUVOZ-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.02
Rot. Bonds2

About 5-bromo-1-propylpyridin-2-one

5-bromo-1-propylpyridin-2-one (PubChem CID 18755921) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 5-bromo-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-propylpyridin-2-one
PubChem CID18755921
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name5-bromo-1-propylpyridin-2-one
SMILESCCCn1cc(Br)ccc1=O
InChIInChI=1S/C8H10BrNO/c1-2-5-10-6-7(9)3-4-8(10)11/h3-4,6H,2,5H2,1H3
InChIKeyVIQPNWPNGXUVOZ-UHFFFAOYSA-N
XLogP2.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propylpyridin-2-one?
The IUPAC name of 5-bromo-1-propylpyridin-2-one (CID 18755921) is 5-bromo-1-propylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-propylpyridin-2-one?
The canonical SMILES for 5-bromo-1-propylpyridin-2-one is CCCn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-propylpyridin-2-one?
The InChIKey is VIQPNWPNGXUVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-2-5-10-6-7(9)3-4-8(10)11/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-bromo-1-propylpyridin-2-one?
5-bromo-1-propylpyridin-2-one has a molecular weight of 216.08 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propylpyridin-2-one is sourced from PubChem (CID 18755921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).