4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile

C21H13FN2O3 — CID 11451241

IUPAC4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile
SMILESCOc1ccc(-n2cc(F)c3oc(-c4ccc(C#N)cc4)cc3c2=O)cc1
InChIInChI=1S/C21H13FN2O3/c1-26-16-8-6-15(7-9-16)24-12-18(22)20-17(21(24)25)10-19(27-20)14-4-2-13(11-23)3-5-14/h2-10,12H,1H3
InChIKeyVZVJOTAWCCJXNC-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.27
Rot. Bonds3

About 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile

4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile (PubChem CID 11451241) has the molecular formula C21H13FN2O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile
PubChem CID11451241
Molecular FormulaC21H13FN2O3
Molecular Weight360.34 g/mol
Exact Mass360.09
IUPAC Name4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile
SMILESCOc1ccc(-n2cc(F)c3oc(-c4ccc(C#N)cc4)cc3c2=O)cc1
InChIInChI=1S/C21H13FN2O3/c1-26-16-8-6-15(7-9-16)24-12-18(22)20-17(21(24)25)10-19(27-20)14-4-2-13(11-23)3-5-14/h2-10,12H,1H3
InChIKeyVZVJOTAWCCJXNC-UHFFFAOYSA-N
XLogP4.27
TPSA68.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile (CID 11451241) is 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile is COc1ccc(-n2cc(F)c3oc(-c4ccc(C#N)cc4)cc3c2=O)cc1.
What is the InChIKey of 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile?
The InChIKey is VZVJOTAWCCJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O3/c1-26-16-8-6-15(7-9-16)24-12-18(22)20-17(21(24)25)10-19(27-20)14-4-2-13(11-23)3-5-14/h2-10,12H,1H3.
What are the key properties of 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile?
4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile has a molecular weight of 360.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-5-(4-methoxyphenyl)-4-oxofuro[3,2-c]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 11451241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).