4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine

C16H15FN2S — CID 18794762

IUPAC4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine
SMILESCC1(CF)C=C(c2ccncc2)SC1c1ccncc1
InChIInChI=1S/C16H15FN2S/c1-16(11-17)10-14(12-2-6-18-7-3-12)20-15(16)13-4-8-19-9-5-13/h2-10,15H,11H2,1H3
InChIKeyUMWGGYUXFGJWNN-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.28
Rot. Bonds3

About 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine

4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine (PubChem CID 18794762) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine.

Molecular Properties

Compound Name4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine
PubChem CID18794762
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine
SMILESCC1(CF)C=C(c2ccncc2)SC1c1ccncc1
InChIInChI=1S/C16H15FN2S/c1-16(11-17)10-14(12-2-6-18-7-3-12)20-15(16)13-4-8-19-9-5-13/h2-10,15H,11H2,1H3
InChIKeyUMWGGYUXFGJWNN-UHFFFAOYSA-N
XLogP4.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine?
The IUPAC name of 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine (CID 18794762) is 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine.
What is the SMILES notation for 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine?
The canonical SMILES for 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine is CC1(CF)C=C(c2ccncc2)SC1c1ccncc1.
What is the InChIKey of 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine?
The InChIKey is UMWGGYUXFGJWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-16(11-17)10-14(12-2-6-18-7-3-12)20-15(16)13-4-8-19-9-5-13/h2-10,15H,11H2,1H3.
What are the key properties of 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine?
4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine has a molecular weight of 286.38 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 4-[3-(fluoromethyl)-3-methyl-2-pyridin-4-yl-2H-thiophen-5-yl]pyridine is sourced from PubChem (CID 18794762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).