4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine

C21H13NOS — CID 126749582

IUPAC4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine
SMILESc1ccc(-c2cc(-c3coc4sc5ccccc5c34)ccn2)cc1
InChIInChI=1S/C21H13NOS/c1-2-6-14(7-3-1)18-12-15(10-11-22-18)17-13-23-21-20(17)16-8-4-5-9-19(16)24-21/h1-13H
InChIKeyQPHGKMVPVYGJJQ-UHFFFAOYSA-N
MW327.41 g/mol
LogP6.38
Rot. Bonds2

About 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine

4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine (PubChem CID 126749582) has the molecular formula C21H13NOS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine.

Molecular Properties

Compound Name4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine
PubChem CID126749582
Molecular FormulaC21H13NOS
Molecular Weight327.41 g/mol
Exact Mass327.07
IUPAC Name4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine
SMILESc1ccc(-c2cc(-c3coc4sc5ccccc5c34)ccn2)cc1
InChIInChI=1S/C21H13NOS/c1-2-6-14(7-3-1)18-12-15(10-11-22-18)17-13-23-21-20(17)16-8-4-5-9-19(16)24-21/h1-13H
InChIKeyQPHGKMVPVYGJJQ-UHFFFAOYSA-N
XLogP6.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.41
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine?
The IUPAC name of 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine (CID 126749582) is 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine.
What is the SMILES notation for 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine?
The canonical SMILES for 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine is c1ccc(-c2cc(-c3coc4sc5ccccc5c34)ccn2)cc1.
What is the InChIKey of 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine?
The InChIKey is QPHGKMVPVYGJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NOS/c1-2-6-14(7-3-1)18-12-15(10-11-22-18)17-13-23-21-20(17)16-8-4-5-9-19(16)24-21/h1-13H.
What are the key properties of 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine?
4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine has a molecular weight of 327.41 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzothiolo[2,3-b]furan-1-yl)-2-phenylpyridine is sourced from PubChem (CID 126749582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).