2-(2-bromodibenzothiophen-1-yl)pyridine

C17H10BrNS — CID 162354836

IUPAC2-(2-bromodibenzothiophen-1-yl)pyridine
SMILESBrc1ccc2sc3ccccc3c2c1-c1ccccn1
InChIInChI=1S/C17H10BrNS/c18-12-8-9-15-16(11-5-1-2-7-14(11)20-15)17(12)13-6-3-4-10-19-13/h1-10H
InChIKeyOXHPBLMCYLLNLI-UHFFFAOYSA-N
MW340.25 g/mol
LogP5.88
Rot. Bonds1

About 2-(2-bromodibenzothiophen-1-yl)pyridine

2-(2-bromodibenzothiophen-1-yl)pyridine (PubChem CID 162354836) has the molecular formula C17H10BrNS and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(2-bromodibenzothiophen-1-yl)pyridine.

Molecular Properties

Compound Name2-(2-bromodibenzothiophen-1-yl)pyridine
PubChem CID162354836
Molecular FormulaC17H10BrNS
Molecular Weight340.25 g/mol
Exact Mass338.97
IUPAC Name2-(2-bromodibenzothiophen-1-yl)pyridine
SMILESBrc1ccc2sc3ccccc3c2c1-c1ccccn1
InChIInChI=1S/C17H10BrNS/c18-12-8-9-15-16(11-5-1-2-7-14(11)20-15)17(12)13-6-3-4-10-19-13/h1-10H
InChIKeyOXHPBLMCYLLNLI-UHFFFAOYSA-N
XLogP5.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.25
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
CID 175869357
4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
CID 175803574
1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
2-(3-methyl-1-benzothiophen-2-yl)pyridine
CID 58084654
[1]benzothiolo[3,2-b]pyridine
CID 174218515
1-bromonaphtho[2,1-b][1]benzothiole
CID 142294349
1,2-dibromothioxanthen-9-one
CID 154349910
4-bromo-1-methyldibenzothiophene
CID 123624432
[1]benzothiolo[3,2-b]pyridine;pyridine
CID 158699365
11-(9-bromodibenzothiophen-2-yl)naphtho[2,3-b][1]benzothiole
CID 146663717
4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076240
3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-f]quinoline
CID 138739309

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromodibenzothiophen-1-yl)pyridine?
The IUPAC name of 2-(2-bromodibenzothiophen-1-yl)pyridine (CID 162354836) is 2-(2-bromodibenzothiophen-1-yl)pyridine.
What is the SMILES notation for 2-(2-bromodibenzothiophen-1-yl)pyridine?
The canonical SMILES for 2-(2-bromodibenzothiophen-1-yl)pyridine is Brc1ccc2sc3ccccc3c2c1-c1ccccn1.
What is the InChIKey of 2-(2-bromodibenzothiophen-1-yl)pyridine?
The InChIKey is OXHPBLMCYLLNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNS/c18-12-8-9-15-16(11-5-1-2-7-14(11)20-15)17(12)13-6-3-4-10-19-13/h1-10H.
What are the key properties of 2-(2-bromodibenzothiophen-1-yl)pyridine?
2-(2-bromodibenzothiophen-1-yl)pyridine has a molecular weight of 340.25 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromodibenzothiophen-1-yl)pyridine is sourced from PubChem (CID 162354836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).