2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile

C23H10F2N2O — CID 174300330

IUPAC2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile
SMILESN#CC=C1/C(=C2\c3ccccc3-c3ncccc32)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C23H10F2N2O/c24-16-7-8-17(25)21-19(16)14(9-10-26)20(23(21)28)18-12-4-1-2-5-13(12)22-15(18)6-3-11-27-22/h1-9,11H/b14-9?,20-18-
InChIKeyWBPUYXCGINHUHH-BJWYCEHKSA-N
MW368.34 g/mol
LogP4.95
Rot. Bonds

About 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile

2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile (PubChem CID 174300330) has the molecular formula C23H10F2N2O and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile.

Molecular Properties

Compound Name2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile
PubChem CID174300330
Molecular FormulaC23H10F2N2O
Molecular Weight368.34 g/mol
Exact Mass368.08
IUPAC Name2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile
SMILESN#CC=C1/C(=C2\c3ccccc3-c3ncccc32)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C23H10F2N2O/c24-16-7-8-17(25)21-19(16)14(9-10-26)20(23(21)28)18-12-4-1-2-5-13(12)22-15(18)6-3-11-27-22/h1-9,11H/b14-9?,20-18-
InChIKeyWBPUYXCGINHUHH-BJWYCEHKSA-N
XLogP4.95
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile?
The IUPAC name of 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile (CID 174300330) is 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile.
What is the SMILES notation for 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile?
The canonical SMILES for 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile is N#CC=C1/C(=C2\c3ccccc3-c3ncccc32)C(=O)c2c(F)ccc(F)c21.
What is the InChIKey of 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile?
The InChIKey is WBPUYXCGINHUHH-BJWYCEHKSA-N. The full InChI is InChI=1S/C23H10F2N2O/c24-16-7-8-17(25)21-19(16)14(9-10-26)20(23(21)28)18-12-4-1-2-5-13(12)22-15(18)6-3-11-27-22/h1-9,11H/b14-9?,20-18-.
What are the key properties of 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile?
2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile has a molecular weight of 368.34 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-4,7-difluoro-2-indeno[1,2-b]pyridin-5-ylidene-3-oxoinden-1-ylidene]acetonitrile is sourced from PubChem (CID 174300330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).