4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile

C22H15FN2O3 — CID 156870774

IUPAC4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ccnc(Oc3ccc4c(c3F)OCCC4=O)c2)cc1
InChIInChI=1S/C22H15FN2O3/c23-21-19(6-5-17-18(26)8-10-27-22(17)21)28-20-12-16(7-9-25-20)11-14-1-3-15(13-24)4-2-14/h1-7,9,12H,8,10-11H2
InChIKeyBELSSYSDCPTSAJ-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.44
Rot. Bonds4

About 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile

4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile (PubChem CID 156870774) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
PubChem CID156870774
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ccnc(Oc3ccc4c(c3F)OCCC4=O)c2)cc1
InChIInChI=1S/C22H15FN2O3/c23-21-19(6-5-17-18(26)8-10-27-22(17)21)28-20-12-16(7-9-25-20)11-14-1-3-15(13-24)4-2-14/h1-7,9,12H,8,10-11H2
InChIKeyBELSSYSDCPTSAJ-UHFFFAOYSA-N
XLogP4.44
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile?
The IUPAC name of 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile (CID 156870774) is 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile is N#Cc1ccc(Cc2ccnc(Oc3ccc4c(c3F)OCCC4=O)c2)cc1.
What is the InChIKey of 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile?
The InChIKey is BELSSYSDCPTSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-21-19(6-5-17-18(26)8-10-27-22(17)21)28-20-12-16(7-9-25-20)11-14-1-3-15(13-24)4-2-14/h1-7,9,12H,8,10-11H2.
What are the key properties of 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile?
4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile has a molecular weight of 374.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(8-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile is sourced from PubChem (CID 156870774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).