ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one

C9H14FNO2 — CID 163251751

IUPACethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one
SMILESCC.COc1[nH]cc(F)c(=O)c1C
InChIInChI=1S/C7H8FNO2.C2H6/c1-4-6(10)5(8)3-9-7(4)11-2;1-2/h3H,1-2H3,(H,9,10);1-2H3
InChIKeyWXBAJTWSEIUYIK-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.86
Rot. Bonds1

About ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one

ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one (PubChem CID 163251751) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Nameethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one
PubChem CID163251751
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Nameethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one
SMILESCC.COc1[nH]cc(F)c(=O)c1C
InChIInChI=1S/C7H8FNO2.C2H6/c1-4-6(10)5(8)3-9-7(4)11-2;1-2/h3H,1-2H3,(H,9,10);1-2H3
InChIKeyWXBAJTWSEIUYIK-UHFFFAOYSA-N
XLogP1.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-fluoro-2-methoxy-1H-pyridin-4-one
CID 166517675
3-amino-5-fluoro-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130909704
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)-1H-pyridin-4-one
CID 130083354
2,5-difluoro-3-iodo-1H-pyridin-4-one
CID 167730457
3-(difluoromethyl)-2-methoxy-5-nitro-1H-pyridin-4-one
CID 130083170
3-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 134658857
2-chloro-4-fluoro-3-methyl-1H-pyrrole
CID 138494945
6-methoxy-4,5-dimethyl-1H-pyridin-2-one
CID 163918634
methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate
CID 133106071
6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride
CID 134666645
2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130079409
methyl 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxylate
CID 130013761

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one?
The IUPAC name of ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one (CID 163251751) is ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one.
What is the SMILES notation for ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one?
The canonical SMILES for ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one is CC.COc1[nH]cc(F)c(=O)c1C.
What is the InChIKey of ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one?
The InChIKey is WXBAJTWSEIUYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2.C2H6/c1-4-6(10)5(8)3-9-7(4)11-2;1-2/h3H,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one?
ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one has a molecular weight of 187.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2-methoxy-3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 163251751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).