5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one

C11H14BrF2NO2 — CID 167764744

IUPAC5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one
SMILESCOc1cc(Br)cn(CC(C)C(C)(F)F)c1=O
InChIInChI=1S/C11H14BrF2NO2/c1-7(11(2,13)14)5-15-6-8(12)4-9(17-3)10(15)16/h4,6-7H,5H2,1-3H3
InChIKeyYBKVOPPPVZPSHH-UHFFFAOYSA-N
MW310.14 g/mol
LogP2.91
Rot. Bonds4

About 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one

5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one (PubChem CID 167764744) has the molecular formula C11H14BrF2NO2 and a molecular weight of 310.14 g/mol. Its IUPAC name is 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one
PubChem CID167764744
Molecular FormulaC11H14BrF2NO2
Molecular Weight310.14 g/mol
Exact Mass309.02
IUPAC Name5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one
SMILESCOc1cc(Br)cn(CC(C)C(C)(F)F)c1=O
InChIInChI=1S/C11H14BrF2NO2/c1-7(11(2,13)14)5-15-6-8(12)4-9(17-3)10(15)16/h4,6-7H,5H2,1-3H3
InChIKeyYBKVOPPPVZPSHH-UHFFFAOYSA-N
XLogP2.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86731525
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CID 170110142
4-bromo-1-(2,3,3-trimethylbutyl)pyrrole-2-carboxylic acid
CID 114606478
5-bromo-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
CID 118022724
5-bromo-1-(bromomethyl)-3-methoxy-2-(trifluoromethyl)benzene
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5-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 83133727
6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3566558
1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one
CID 134090232
4-bromo-1-methoxy-2-(1,1,1-trifluoropropan-2-yloxymethyl)benzene
CID 66276996
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CID 68853897
4-bromo-2-methoxy-1-propan-2-yloxybenzene
CID 11149245
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one?
The IUPAC name of 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one (CID 167764744) is 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one.
What is the SMILES notation for 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one?
The canonical SMILES for 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one is COc1cc(Br)cn(CC(C)C(C)(F)F)c1=O.
What is the InChIKey of 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one?
The InChIKey is YBKVOPPPVZPSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO2/c1-7(11(2,13)14)5-15-6-8(12)4-9(17-3)10(15)16/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one?
5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one has a molecular weight of 310.14 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3,3-difluoro-2-methylbutyl)-3-methoxypyridin-2-one is sourced from PubChem (CID 167764744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).