1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one

C10H12FNO2 — CID 103455294

IUPAC1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)C(O)C(=O)c1ccncc1F
InChIInChI=1S/C10H12FNO2/c1-6(2)9(13)10(14)7-3-4-12-5-8(7)11/h3-6,9,13H,1-2H3
InChIKeyYFBJVYNZPSWHJX-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.42
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one

1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one (PubChem CID 103455294) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one
PubChem CID103455294
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)C(O)C(=O)c1ccncc1F
InChIInChI=1S/C10H12FNO2/c1-6(2)9(13)10(14)7-3-4-12-5-8(7)11/h3-6,9,13H,1-2H3
InChIKeyYFBJVYNZPSWHJX-UHFFFAOYSA-N
XLogP1.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one
CID 116709711
2-(aminomethyl)-1-(3-fluoro-4-pyridinyl)butan-1-one
CID 116575121
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
3-fluoro-N-(6-propan-2-ylpyrazin-2-yl)pyridine-4-carboxamide
CID 146357330
(3-fluoro-4-pyridinyl)-(1-methylcyclopropyl)methanone
CID 104737938
2-amino-1-(3-fluoro-4-pyridinyl)-4-methylsulfonylbutan-1-one
CID 116551972
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646512
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
methyl 2-(3-fluoro-4-pyridinyl)-2-oxoacetate
CID 146160461
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 64950472
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one (CID 103455294) is 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one is CC(C)C(O)C(=O)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one?
The InChIKey is YFBJVYNZPSWHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6(2)9(13)10(14)7-3-4-12-5-8(7)11/h3-6,9,13H,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one?
1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one has a molecular weight of 197.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 103455294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).