4-(9-azidothioxanthen-9-yl)pyridine

C18H12N4S — CID 13396140

IUPAC4-(9-azidothioxanthen-9-yl)pyridine
SMILES[N-]=[N+]=NC1(c2ccncc2)c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H12N4S/c19-22-21-18(13-9-11-20-12-10-13)14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)18/h1-12H
InChIKeyWVQBHECFYARADH-UHFFFAOYSA-N
MW316.39 g/mol
LogP5.15
Rot. Bonds2

About 4-(9-azidothioxanthen-9-yl)pyridine

4-(9-azidothioxanthen-9-yl)pyridine (PubChem CID 13396140) has the molecular formula C18H12N4S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-(9-azidothioxanthen-9-yl)pyridine.

Molecular Properties

Compound Name4-(9-azidothioxanthen-9-yl)pyridine
PubChem CID13396140
Molecular FormulaC18H12N4S
Molecular Weight316.39 g/mol
Exact Mass316.08
IUPAC Name4-(9-azidothioxanthen-9-yl)pyridine
SMILES[N-]=[N+]=NC1(c2ccncc2)c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H12N4S/c19-22-21-18(13-9-11-20-12-10-13)14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)18/h1-12H
InChIKeyWVQBHECFYARADH-UHFFFAOYSA-N
XLogP5.15
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.39
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-3-(4-methylphenyl)-1H-indol-2-one
CID 138970480
4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine
CID 146495369
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
CID 101264083
CID 101264083
spiro[1,3-dithiolane-2,9'-thioxanthene]
CID 11066133
4-[9-(4-hydroxyphenyl)thioxanthen-9-yl]phenol
CID 59289749
9-(9-cyanothioxanthen-9-yl)thioxanthene-9-carbonitrile
CID 57262147
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)-1,3,5-triazine
CID 139306538
3-azido-5,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
CID 110272773
CID 160621349
CID 160621349
spiro[thioxanthene-9,9'-xanthene]
CID 59096341
4-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)pyrimidine
CID 118698668

Frequently Asked Questions

What is the IUPAC name of 4-(9-azidothioxanthen-9-yl)pyridine?
The IUPAC name of 4-(9-azidothioxanthen-9-yl)pyridine (CID 13396140) is 4-(9-azidothioxanthen-9-yl)pyridine.
What is the SMILES notation for 4-(9-azidothioxanthen-9-yl)pyridine?
The canonical SMILES for 4-(9-azidothioxanthen-9-yl)pyridine is [N-]=[N+]=NC1(c2ccncc2)c2ccccc2Sc2ccccc21.
What is the InChIKey of 4-(9-azidothioxanthen-9-yl)pyridine?
The InChIKey is WVQBHECFYARADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S/c19-22-21-18(13-9-11-20-12-10-13)14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)18/h1-12H.
What are the key properties of 4-(9-azidothioxanthen-9-yl)pyridine?
4-(9-azidothioxanthen-9-yl)pyridine has a molecular weight of 316.39 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-azidothioxanthen-9-yl)pyridine is sourced from PubChem (CID 13396140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).