(2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile

C20H10F2N2 — CID 174199202

IUPAC(2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile
SMILESN#C/C(=C1\c2ccccc2-c2ncccc21)c1ccc(F)cc1F
InChIInChI=1S/C20H10F2N2/c21-12-7-8-13(18(22)10-12)17(11-23)19-14-4-1-2-5-15(14)20-16(19)6-3-9-24-20/h1-10H/b19-17-
InChIKeyILODSPCZBZUUTL-ZPHPHTNESA-N
MW316.31 g/mol
LogP4.82
Rot. Bonds1

About (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile

(2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile (PubChem CID 174199202) has the molecular formula C20H10F2N2 and a molecular weight of 316.31 g/mol. Its IUPAC name is (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile.

Molecular Properties

Compound Name(2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile
PubChem CID174199202
Molecular FormulaC20H10F2N2
Molecular Weight316.31 g/mol
Exact Mass316.08
IUPAC Name(2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile
SMILESN#C/C(=C1\c2ccccc2-c2ncccc21)c1ccc(F)cc1F
InChIInChI=1S/C20H10F2N2/c21-12-7-8-13(18(22)10-12)17(11-23)19-14-4-1-2-5-15(14)20-16(19)6-3-9-24-20/h1-10H/b19-17-
InChIKeyILODSPCZBZUUTL-ZPHPHTNESA-N
XLogP4.82
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile?
The IUPAC name of (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile (CID 174199202) is (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile.
What is the SMILES notation for (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile?
The canonical SMILES for (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile is N#C/C(=C1\c2ccccc2-c2ncccc21)c1ccc(F)cc1F.
What is the InChIKey of (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile?
The InChIKey is ILODSPCZBZUUTL-ZPHPHTNESA-N. The full InChI is InChI=1S/C20H10F2N2/c21-12-7-8-13(18(22)10-12)17(11-23)19-14-4-1-2-5-15(14)20-16(19)6-3-9-24-20/h1-10H/b19-17-.
What are the key properties of (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile?
(2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile has a molecular weight of 316.31 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,4-difluorophenyl)-2-indeno[1,2-b]pyridin-5-ylideneacetonitrile is sourced from PubChem (CID 174199202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).