6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one

C11H16FNO — CID 176560496

IUPAC6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one
SMILESCCc1cc(F)c(C(C)CC)[nH]c1=O
InChIInChI=1S/C11H16FNO/c1-4-7(3)10-9(12)6-8(5-2)11(14)13-10/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyUTJGFLXEMCVBRS-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.59
Rot. Bonds3

About 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one

6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one (PubChem CID 176560496) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one
PubChem CID176560496
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one
SMILESCCc1cc(F)c(C(C)CC)[nH]c1=O
InChIInChI=1S/C11H16FNO/c1-4-7(3)10-9(12)6-8(5-2)11(14)13-10/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyUTJGFLXEMCVBRS-UHFFFAOYSA-N
XLogP2.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-Di-tert-butylpyridin-2(1H)-one
CID 342685
3-ethyl-6-methyl-1H-pyridin-2-one
CID 2797876
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
CID 19012326
3-Ethyl-6-(trifluoromethyl)pyridin-2-ol
CID 89003285
4-amino-N-[(3Z,5Z)-2,4-difluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide
CID 89214940
4-fluoro-6-propan-2-yl-1H-pyridin-2-one
CID 89973677
5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one
CID 118446180
6-fluoro-3-methyl-5-propan-2-yl-1H-pyridin-2-one
CID 122543517
4-fluoro-6-methyl-5-propan-2-yl-1H-pyridin-2-one
CID 122543524
4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
CID 122543536
4-fluoro-5-propan-2-yl-6-prop-1-ynyl-1H-pyridin-2-one
CID 122543542

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one (CID 176560496) is 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one is CCc1cc(F)c(C(C)CC)[nH]c1=O.
What is the InChIKey of 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one?
The InChIKey is UTJGFLXEMCVBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-4-7(3)10-9(12)6-8(5-2)11(14)13-10/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one?
6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one has a molecular weight of 197.25 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-ethyl-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 176560496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).