3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one

C9H12FNO — CID 170296389

IUPAC3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one
SMILESCCC[C@H](F)c1ccc[nH]c1=O
InChIInChI=1S/C9H12FNO/c1-2-4-8(10)7-5-3-6-11-9(7)12/h3,5-6,8H,2,4H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyIBCQDXBHLXBOCU-QMMMGPOBSA-N
MW169.20 g/mol
LogP2.19
Rot. Bonds3

About 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one

3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one (PubChem CID 170296389) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one
PubChem CID170296389
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one
SMILESCCC[C@H](F)c1ccc[nH]c1=O
InChIInChI=1S/C9H12FNO/c1-2-4-8(10)7-5-3-6-11-9(7)12/h3,5-6,8H,2,4H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyIBCQDXBHLXBOCU-QMMMGPOBSA-N
XLogP2.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylpyridin-2-ol
CID 12354337
1H,2H,5H,6H,7H-cyclopenta[c]pyridin-1-one
CID 14732815
3-Cyclopropylpyridin-2(1H)-one
CID 56972692
Hexylpyridon
CID 18760458
5,6,7,8-Tetrahydroisoquinolin-1(2H)-one
CID 19081118
Diethylpyridinone
CID 20040028
3-Propylpyridin-2(1H)-one
CID 20227391
Pentylpyridon
CID 21469924
Heptylpyridon
CID 21666919
3-(Prop-2-en-1-yl)pyridin-2(1H)-one
CID 21941169
3-Butyrylpyridon
CID 59185312
3-Cyclopent-3-enylmethyl-1H-pyridin-2-one
CID 59837837

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one (CID 170296389) is 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one is CCC[C@H](F)c1ccc[nH]c1=O.
What is the InChIKey of 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one?
The InChIKey is IBCQDXBHLXBOCU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-4-8(10)7-5-3-6-11-9(7)12/h3,5-6,8H,2,4H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one?
3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one has a molecular weight of 169.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-fluorobutyl]-1H-pyridin-2-one is sourced from PubChem (CID 170296389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).