3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one

C11H15Br2NO — CID 54341523

IUPAC3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one
SMILESCCCc1[nH]c(CCC)c(Br)c(=O)c1Br
InChIInChI=1S/C11H15Br2NO/c1-3-5-7-9(12)11(15)10(13)8(14-7)6-4-2/h3-6H2,1-2H3,(H,14,15)
InChIKeyTZHBEIFWUZMVRN-UHFFFAOYSA-N
MW337.06 g/mol
LogP3.80
Rot. Bonds4

About 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one

3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one (PubChem CID 54341523) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one
PubChem CID54341523
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one
SMILESCCCc1[nH]c(CCC)c(Br)c(=O)c1Br
InChIInChI=1S/C11H15Br2NO/c1-3-5-7-9(12)11(15)10(13)8(14-7)6-4-2/h3-6H2,1-2H3,(H,14,15)
InChIKeyTZHBEIFWUZMVRN-UHFFFAOYSA-N
XLogP3.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one?
The IUPAC name of 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one (CID 54341523) is 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one?
The canonical SMILES for 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one is CCCc1[nH]c(CCC)c(Br)c(=O)c1Br.
What is the InChIKey of 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one?
The InChIKey is TZHBEIFWUZMVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-3-5-7-9(12)11(15)10(13)8(14-7)6-4-2/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one?
3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one has a molecular weight of 337.06 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2,6-dipropyl-1H-pyridin-4-one is sourced from PubChem (CID 54341523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).