3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine

C16H16N2S — CID 118871314

IUPAC3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine
SMILESCc1ccc(C)n1Cc1cc(-c2cccnc2)cs1
InChIInChI=1S/C16H16N2S/c1-12-5-6-13(2)18(12)10-16-8-15(11-19-16)14-4-3-7-17-9-14/h3-9,11H,10H2,1-2H3
InChIKeyWUIDFZFZNMVRCX-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.28
Rot. Bonds3

About 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine

3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine (PubChem CID 118871314) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine
PubChem CID118871314
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine
SMILESCc1ccc(C)n1Cc1cc(-c2cccnc2)cs1
InChIInChI=1S/C16H16N2S/c1-12-5-6-13(2)18(12)10-16-8-15(11-19-16)14-4-3-7-17-9-14/h3-9,11H,10H2,1-2H3
InChIKeyWUIDFZFZNMVRCX-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine?
The IUPAC name of 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine (CID 118871314) is 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine.
What is the SMILES notation for 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine?
The canonical SMILES for 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine is Cc1ccc(C)n1Cc1cc(-c2cccnc2)cs1.
What is the InChIKey of 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine?
The InChIKey is WUIDFZFZNMVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-12-5-6-13(2)18(12)10-16-8-15(11-19-16)14-4-3-7-17-9-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine?
3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine has a molecular weight of 268.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine is sourced from PubChem (CID 118871314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).