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

C19H14FN3O2 — CID 175917677

IUPAC3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile
SMILESCc1cc(-c2cccc(OCc3ccc(C#N)cc3F)n2)cc(=O)[nH]1
InChIInChI=1S/C19H14FN3O2/c1-12-7-15(9-18(24)22-12)17-3-2-4-19(23-17)25-11-14-6-5-13(10-21)8-16(14)20/h2-9H,11H2,1H3,(H,22,24)
InChIKeyFGODPRASYMONKM-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.34
Rot. Bonds4

About 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile

3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile (PubChem CID 175917677) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile
PubChem CID175917677
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile
SMILESCc1cc(-c2cccc(OCc3ccc(C#N)cc3F)n2)cc(=O)[nH]1
InChIInChI=1S/C19H14FN3O2/c1-12-7-15(9-18(24)22-12)17-3-2-4-19(23-17)25-11-14-6-5-13(10-21)8-16(14)20/h2-9H,11H2,1H3,(H,22,24)
InChIKeyFGODPRASYMONKM-UHFFFAOYSA-N
XLogP3.34
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile (CID 175917677) is 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile is Cc1cc(-c2cccc(OCc3ccc(C#N)cc3F)n2)cc(=O)[nH]1.
What is the InChIKey of 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile?
The InChIKey is FGODPRASYMONKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-12-7-15(9-18(24)22-12)17-3-2-4-19(23-17)25-11-14-6-5-13(10-21)8-16(14)20/h2-9H,11H2,1H3,(H,22,24).
What are the key properties of 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile?
3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile has a molecular weight of 335.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[6-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-pyridinyl]oxymethyl]benzonitrile is sourced from PubChem (CID 175917677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).