2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine

C14H10BrNS — CID 142679353

IUPAC2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine
SMILESBrCc1ccc2cc(-c3ccccn3)sc2c1
InChIInChI=1S/C14H10BrNS/c15-9-10-4-5-11-8-14(17-13(11)7-10)12-3-1-2-6-16-12/h1-8H,9H2
InChIKeyKIZWISUYJWNFQS-UHFFFAOYSA-N
MW304.21 g/mol
LogP4.86
Rot. Bonds2

About 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine

2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine (PubChem CID 142679353) has the molecular formula C14H10BrNS and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine
PubChem CID142679353
Molecular FormulaC14H10BrNS
Molecular Weight304.21 g/mol
Exact Mass302.97
IUPAC Name2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine
SMILESBrCc1ccc2cc(-c3ccccn3)sc2c1
InChIInChI=1S/C14H10BrNS/c15-9-10-4-5-11-8-14(17-13(11)7-10)12-3-1-2-6-16-12/h1-8H,9H2
InChIKeyKIZWISUYJWNFQS-UHFFFAOYSA-N
XLogP4.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline
CID 126560893
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
CID 1485413
bis(2-(1-benzothiophen-2-yl)pyridine);iridium(3+);tris(3-oxobutanoate)
CID 174243006
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(1-benzothiophen-2-yl)pyridine;iridium
CID 158906670
3-(2-pyridin-2-yl-1-benzothiophen-5-yl)benzo[h]quinoline
CID 123584369
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
2-(4-fluoro-1-benzothiophen-2-yl)pyridine
CID 102139061
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
[6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
CID 115110744
[2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine
CID 115113835
2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine
CID 11582517

Frequently Asked Questions

What is the IUPAC name of 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine?
The IUPAC name of 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine (CID 142679353) is 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine.
What is the SMILES notation for 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine?
The canonical SMILES for 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine is BrCc1ccc2cc(-c3ccccn3)sc2c1.
What is the InChIKey of 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine?
The InChIKey is KIZWISUYJWNFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNS/c15-9-10-4-5-11-8-14(17-13(11)7-10)12-3-1-2-6-16-12/h1-8H,9H2.
What are the key properties of 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine?
2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine has a molecular weight of 304.21 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine is sourced from PubChem (CID 142679353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).