3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride

C17H12ClNOS — CID 23438900

IUPAC3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride
SMILESCl.c1cncc(-c2coc3cc(-c4ccsc4)ccc23)c1
InChIInChI=1S/C17H11NOS.ClH/c1-2-13(9-18-6-1)16-10-19-17-8-12(3-4-15(16)17)14-5-7-20-11-14;/h1-11H;1H
InChIKeyLQVMVRHXVRDKQD-UHFFFAOYSA-N
MW313.81 g/mol
LogP5.65
Rot. Bonds2

About 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride

3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride (PubChem CID 23438900) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride
PubChem CID23438900
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC Name3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride
SMILESCl.c1cncc(-c2coc3cc(-c4ccsc4)ccc23)c1
InChIInChI=1S/C17H11NOS.ClH/c1-2-13(9-18-6-1)16-10-19-17-8-12(3-4-15(16)17)14-5-7-20-11-14;/h1-11H;1H
InChIKeyLQVMVRHXVRDKQD-UHFFFAOYSA-N
XLogP5.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.81
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride?
The IUPAC name of 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride (CID 23438900) is 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride.
What is the SMILES notation for 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride?
The canonical SMILES for 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride is Cl.c1cncc(-c2coc3cc(-c4ccsc4)ccc23)c1.
What is the InChIKey of 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride?
The InChIKey is LQVMVRHXVRDKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS.ClH/c1-2-13(9-18-6-1)16-10-19-17-8-12(3-4-15(16)17)14-5-7-20-11-14;/h1-11H;1H.
What are the key properties of 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride?
3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride has a molecular weight of 313.81 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-thiophen-3-yl-1-benzofuran-3-yl)pyridine;hydrochloride is sourced from PubChem (CID 23438900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).