2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile

C21H15FN2O — CID 2816367

IUPAC2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCCOc1nc2c(c(-c3ccc(F)cc3)c1C#N)Cc1ccccc1-2
InChIInChI=1S/C21H15FN2O/c1-2-25-21-18(12-23)19(13-7-9-15(22)10-8-13)17-11-14-5-3-4-6-16(14)20(17)24-21/h3-10H,2,11H2,1H3
InChIKeyWLRMAXJLCJRFBD-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.73
Rot. Bonds3

About 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile

2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 2816367) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
PubChem CID2816367
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESCCOc1nc2c(c(-c3ccc(F)cc3)c1C#N)Cc1ccccc1-2
InChIInChI=1S/C21H15FN2O/c1-2-25-21-18(12-23)19(13-7-9-15(22)10-8-13)17-11-14-5-3-4-6-16(14)20(17)24-21/h3-10H,2,11H2,1H3
InChIKeyWLRMAXJLCJRFBD-UHFFFAOYSA-N
XLogP4.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile (CID 2816367) is 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile is CCOc1nc2c(c(-c3ccc(F)cc3)c1C#N)Cc1ccccc1-2.
What is the InChIKey of 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is WLRMAXJLCJRFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c1-2-25-21-18(12-23)19(13-7-9-15(22)10-8-13)17-11-14-5-3-4-6-16(14)20(17)24-21/h3-10H,2,11H2,1H3.
What are the key properties of 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile?
2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 330.36 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-fluorophenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2816367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).