2-(8-isocyanodibenzothiophen-4-yl)pyridine

C18H10N2S — CID 154616023

IUPAC2-(8-isocyanodibenzothiophen-4-yl)pyridine
SMILES[C-]#[N+]c1ccc2sc3c(-c4ccccn4)cccc3c2c1
InChIInChI=1S/C18H10N2S/c1-19-12-8-9-17-15(11-12)13-5-4-6-14(18(13)21-17)16-7-2-3-10-20-16/h2-11H
InChIKeyNPCYUYOXBCDQOS-UHFFFAOYSA-N
MW286.36 g/mol
LogP5.67
Rot. Bonds1

About 2-(8-isocyanodibenzothiophen-4-yl)pyridine

2-(8-isocyanodibenzothiophen-4-yl)pyridine (PubChem CID 154616023) has the molecular formula C18H10N2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(8-isocyanodibenzothiophen-4-yl)pyridine.

Molecular Properties

Compound Name2-(8-isocyanodibenzothiophen-4-yl)pyridine
PubChem CID154616023
Molecular FormulaC18H10N2S
Molecular Weight286.36 g/mol
Exact Mass286.06
IUPAC Name2-(8-isocyanodibenzothiophen-4-yl)pyridine
SMILES[C-]#[N+]c1ccc2sc3c(-c4ccccn4)cccc3c2c1
InChIInChI=1S/C18H10N2S/c1-19-12-8-9-17-15(11-12)13-5-4-6-14(18(13)21-17)16-7-2-3-10-20-16/h2-11H
InChIKeyNPCYUYOXBCDQOS-UHFFFAOYSA-N
XLogP5.67
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.36
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

trimethyl-(6-pyridin-2-yldibenzothiophen-3-yl)germane
CID 164832342
2-[7-(trideuteriomethyl)dibenzothiophen-4-yl]pyridine
CID 155612463
3-dibenzothiophen-4-yl-6-isocyano-9-methylcarbazole
CID 123287178
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
2-(6-isocyano-9H-fluoren-1-yl)pyridine
CID 162258416
2-[12-(8-isocyanodibenzothiophen-2-yl)chrysen-6-yl]-6-phenylpyridine
CID 123593386
6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine
CID 102496572
4-(2,2-dimethylpropyl)-2-(8-phenyldibenzothiophen-4-yl)pyridine
CID 166574741
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
4-(2-isocyanophenyl)dibenzothiophene
CID 170460075
4-benzyl-2-dibenzothiophen-4-ylpyridine
CID 162707665
19-isocyano-14-phenanthren-9-yl-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 123735069

Frequently Asked Questions

What is the IUPAC name of 2-(8-isocyanodibenzothiophen-4-yl)pyridine?
The IUPAC name of 2-(8-isocyanodibenzothiophen-4-yl)pyridine (CID 154616023) is 2-(8-isocyanodibenzothiophen-4-yl)pyridine.
What is the SMILES notation for 2-(8-isocyanodibenzothiophen-4-yl)pyridine?
The canonical SMILES for 2-(8-isocyanodibenzothiophen-4-yl)pyridine is [C-]#[N+]c1ccc2sc3c(-c4ccccn4)cccc3c2c1.
What is the InChIKey of 2-(8-isocyanodibenzothiophen-4-yl)pyridine?
The InChIKey is NPCYUYOXBCDQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2S/c1-19-12-8-9-17-15(11-12)13-5-4-6-14(18(13)21-17)16-7-2-3-10-20-16/h2-11H.
What are the key properties of 2-(8-isocyanodibenzothiophen-4-yl)pyridine?
2-(8-isocyanodibenzothiophen-4-yl)pyridine has a molecular weight of 286.36 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-isocyanodibenzothiophen-4-yl)pyridine is sourced from PubChem (CID 154616023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).