4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile

C20H12N2OS — CID 58622551

IUPAC4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H12N2OS/c21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H
InChIKeyOESZPRRNZLOEGN-UHFFFAOYSA-N
MW328.40 g/mol
LogP5.63
Rot. Bonds3

About 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile

4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile (PubChem CID 58622551) has the molecular formula C20H12N2OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile
PubChem CID58622551
Molecular FormulaC20H12N2OS
Molecular Weight328.40 g/mol
Exact Mass328.07
IUPAC Name4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1
InChIInChI=1S/C20H12N2OS/c21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H
InChIKeyOESZPRRNZLOEGN-UHFFFAOYSA-N
XLogP5.63
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile (CID 58622551) is 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1.
What is the InChIKey of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile?
The InChIKey is OESZPRRNZLOEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2OS/c21-11-17-10-18-19(12-22-13-20(18)24-17)23-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-10,12-13H.
What are the key properties of 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile?
4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile has a molecular weight of 328.40 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)thieno[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 58622551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).