5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile

C14H11FN2O2 — CID 141203375

IUPAC5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile
SMILESCc1cc(OCc2ccc(F)cc2C#N)cc(=O)[nH]1
InChIInChI=1S/C14H11FN2O2/c1-9-4-13(6-14(18)17-9)19-8-10-2-3-12(15)5-11(10)7-16/h2-6H,8H2,1H3,(H,17,18)
InChIKeyYXDQIZPUDMUMCZ-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.27
Rot. Bonds3

About 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile

5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile (PubChem CID 141203375) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile
PubChem CID141203375
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile
SMILESCc1cc(OCc2ccc(F)cc2C#N)cc(=O)[nH]1
InChIInChI=1S/C14H11FN2O2/c1-9-4-13(6-14(18)17-9)19-8-10-2-3-12(15)5-11(10)7-16/h2-6H,8H2,1H3,(H,17,18)
InChIKeyYXDQIZPUDMUMCZ-UHFFFAOYSA-N
XLogP2.27
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-fluorophenyl)propoxy]-6-methyl-1H-pyridin-2-one
CID 178299302
3-fluoro-6-methyl-4-(2-phenylpropoxy)-1H-pyridin-2-one
CID 178300162
6-nonyl-4-phenylmethoxy-1H-pyridin-2-one
CID 178310753
6-methyl-4-(2-phenylpropoxy)-1H-pyridin-2-one
CID 178302005
3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methylpyridin-2(1H)-one
CID 22050429
3-Chloro-4-(2,4-difluorobenzyloxy)-6-methyl-1H-pyridin-2-one
CID 22051050
2(1H)-Pyridinone, 4-[(2,4-difluorophenyl)methoxy]-6-methyl-
CID 22051141
3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1H-pyridin-3-yl]methyl]benzonitrile
CID 69792026
4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one
CID 70955592
7-fluoro-1-[(2-fluoro-6-methylphenyl)methoxy]-3-oxo-2H-isoquinoline-4-carbonitrile
CID 71053564
7-fluoro-1-[(2-methylphenyl)methoxy]-3-oxo-2H-isoquinoline-4-carbonitrile
CID 71053638
1-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 88004862

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile?
The IUPAC name of 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile (CID 141203375) is 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile?
The canonical SMILES for 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile is Cc1cc(OCc2ccc(F)cc2C#N)cc(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile?
The InChIKey is YXDQIZPUDMUMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-9-4-13(6-14(18)17-9)19-8-10-2-3-12(15)5-11(10)7-16/h2-6H,8H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile?
5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile has a molecular weight of 258.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methyl-6-oxo-1H-pyridin-4-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 141203375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).