2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile

C24H10FN3O — CID 174300386

IUPAC2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1/C(=C2\c3ccccc3-c3ncccc32)C(=O)c2c(F)cccc21
InChIInChI=1S/C24H10FN3O/c25-18-9-3-7-16-19(13(11-26)12-27)22(24(29)21(16)18)20-14-5-1-2-6-15(14)23-17(20)8-4-10-28-23/h1-10H/b22-20-
InChIKeyWNKJIWZDHXJKBJ-XDOYNYLZSA-N
MW375.36 g/mol
LogP4.70
Rot. Bonds

About 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile

2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile (PubChem CID 174300386) has the molecular formula C24H10FN3O and a molecular weight of 375.36 g/mol. Its IUPAC name is 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile
PubChem CID174300386
Molecular FormulaC24H10FN3O
Molecular Weight375.36 g/mol
Exact Mass375.08
IUPAC Name2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1/C(=C2\c3ccccc3-c3ncccc32)C(=O)c2c(F)cccc21
InChIInChI=1S/C24H10FN3O/c25-18-9-3-7-16-19(13(11-26)12-27)22(24(29)21(16)18)20-14-5-1-2-6-15(14)23-17(20)8-4-10-28-23/h1-10H/b22-20-
InChIKeyWNKJIWZDHXJKBJ-XDOYNYLZSA-N
XLogP4.70
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-4,5,7-trifluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile
CID 174300428
2-[2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)-4,6,7-trifluoro-3-oxoinden-1-ylidene]propanedinitrile
CID 174300189
2-[2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)-6,7-difluoro-3-oxoinden-1-ylidene]propanedinitrile
CID 174301523
2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile
CID 174300330
2-[(2Z)-5,7-difluoro-2-(9-hydroxyindeno[1,2-b]pyridin-5-ylidene)-3-oxoinden-1-ylidene]propanedinitrile
CID 174300717
2-[3-(dicyanomethylidene)-2-(9-hydroxyindeno[1,2-b]pyridin-5-ylidene)inden-1-ylidene]propanedinitrile
CID 174300852
2-[(2E)-3-(cyanomethylidene)-5,6,7-trifluoro-2-indeno[1,2-b]pyridin-5-ylideneinden-1-ylidene]propanedinitrile
CID 174300480
2-[(3Z)-3-(cyanomethylidene)-2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)-4,7-difluoroinden-1-ylidene]propanedinitrile
CID 174300202
2-[(2Z)-3-(dicyanomethylidene)-4,5,7-trifluoro-2-(9-hydroxyindeno[1,2-b]pyridin-5-ylidene)inden-1-ylidene]propanedinitrile
CID 174300908
2-[2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)-3-hydroxy-3H-inden-1-ylidene]propanedinitrile
CID 174300104
(2Z)-2-[2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)-4,6,7-trifluoro-3-oxoinden-1-ylidene]acetonitrile
CID 174301461
(2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile
CID 174199202

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile?
The IUPAC name of 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile (CID 174300386) is 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile is N#CC(C#N)=C1/C(=C2\c3ccccc3-c3ncccc32)C(=O)c2c(F)cccc21.
What is the InChIKey of 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile?
The InChIKey is WNKJIWZDHXJKBJ-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H10FN3O/c25-18-9-3-7-16-19(13(11-26)12-27)22(24(29)21(16)18)20-14-5-1-2-6-15(14)23-17(20)8-4-10-28-23/h1-10H/b22-20-.
What are the key properties of 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile?
2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile has a molecular weight of 375.36 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-4-fluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]propanedinitrile is sourced from PubChem (CID 174300386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).