5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one

C10H12BrF2NO2 — CID 150982333

IUPAC5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one
SMILESCOCC(C)n1c(C(F)F)c(Br)ccc1=O
InChIInChI=1S/C10H12BrF2NO2/c1-6(5-16-2)14-8(15)4-3-7(11)9(14)10(12)13/h3-4,6,10H,5H2,1-2H3
InChIKeyLQJBGSDXISWLLN-UHFFFAOYSA-N
MW296.11 g/mol
LogP2.76
Rot. Bonds4

About 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one

5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one (PubChem CID 150982333) has the molecular formula C10H12BrF2NO2 and a molecular weight of 296.11 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one
PubChem CID150982333
Molecular FormulaC10H12BrF2NO2
Molecular Weight296.11 g/mol
Exact Mass295.00
IUPAC Name5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one
SMILESCOCC(C)n1c(C(F)F)c(Br)ccc1=O
InChIInChI=1S/C10H12BrF2NO2/c1-6(5-16-2)14-8(15)4-3-7(11)9(14)10(12)13/h3-4,6,10H,5H2,1-2H3
InChIKeyLQJBGSDXISWLLN-UHFFFAOYSA-N
XLogP2.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one?
The IUPAC name of 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one (CID 150982333) is 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one.
What is the SMILES notation for 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one?
The canonical SMILES for 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one is COCC(C)n1c(C(F)F)c(Br)ccc1=O.
What is the InChIKey of 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one?
The InChIKey is LQJBGSDXISWLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO2/c1-6(5-16-2)14-8(15)4-3-7(11)9(14)10(12)13/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one?
5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one has a molecular weight of 296.11 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(difluoromethyl)-1-(1-methoxypropan-2-yl)pyridin-2-one is sourced from PubChem (CID 150982333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).