1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one

C11H14FNO2 — CID 116708326

IUPAC1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
SMILESCOC(C(=O)c1cncc(F)c1)C(C)C
InChIInChI=1S/C11H14FNO2/c1-7(2)11(15-3)10(14)8-4-9(12)6-13-5-8/h4-7,11H,1-3H3
InChIKeyPTVLWDYJOTWJLH-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.07
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one

1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one (PubChem CID 116708326) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
PubChem CID116708326
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
SMILESCOC(C(=O)c1cncc(F)c1)C(C)C
InChIInChI=1S/C11H14FNO2/c1-7(2)11(15-3)10(14)8-4-9(12)6-13-5-8/h4-7,11H,1-3H3
InChIKeyPTVLWDYJOTWJLH-UHFFFAOYSA-N
XLogP2.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116708503
1-(3,5-difluorophenyl)-2-methoxy-3-methylbutan-1-one
CID 116708370
2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
CID 116594166
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one
CID 116613600
methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate
CID 94425120
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone
CID 116709222
chloro 5-fluoropyridine-3-carboxylate
CID 174465391
2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
CID 59440305
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 104785540
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one (CID 116708326) is 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one is COC(C(=O)c1cncc(F)c1)C(C)C.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one?
The InChIKey is PTVLWDYJOTWJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(2)11(15-3)10(14)8-4-9(12)6-13-5-8/h4-7,11H,1-3H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one?
1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one has a molecular weight of 211.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 116708326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).