3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine

C18H17NO3S — CID 53388352

IUPAC3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine
SMILESCOc1cc(-c2cscc2-c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C18H17NO3S/c1-20-16-7-13(8-17(21-2)18(16)22-3)15-11-23-10-14(15)12-5-4-6-19-9-12/h4-11H,1-3H3
InChIKeyKMQSNOXHBKKNEB-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.50
Rot. Bonds5

About 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine

3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine (PubChem CID 53388352) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine.

Molecular Properties

Compound Name3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine
PubChem CID53388352
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine
SMILESCOc1cc(-c2cscc2-c2cccnc2)cc(OC)c1OC
InChIInChI=1S/C18H17NO3S/c1-20-16-7-13(8-17(21-2)18(16)22-3)15-11-23-10-14(15)12-5-4-6-19-9-12/h4-11H,1-3H3
InChIKeyKMQSNOXHBKKNEB-UHFFFAOYSA-N
XLogP4.50
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine?
The IUPAC name of 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine (CID 53388352) is 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine.
What is the SMILES notation for 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine?
The canonical SMILES for 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine is COc1cc(-c2cscc2-c2cccnc2)cc(OC)c1OC.
What is the InChIKey of 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine?
The InChIKey is KMQSNOXHBKKNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-20-16-7-13(8-17(21-2)18(16)22-3)15-11-23-10-14(15)12-5-4-6-19-9-12/h4-11H,1-3H3.
What are the key properties of 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine?
3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine has a molecular weight of 327.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]pyridine is sourced from PubChem (CID 53388352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).