4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine

C16H12F2N2S — CID 23434114

IUPAC4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine
SMILESCc1c(-c2ccncc2)sc(-c2ccncc2)c1C(F)F
InChIInChI=1S/C16H12F2N2S/c1-10-13(16(17)18)15(12-4-8-20-9-5-12)21-14(10)11-2-6-19-7-3-11/h2-9,16H,1H3
InChIKeyWMABCBVIULBLLL-UHFFFAOYSA-N
MW302.35 g/mol
LogP5.12
Rot. Bonds3

About 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine

4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine (PubChem CID 23434114) has the molecular formula C16H12F2N2S and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine
PubChem CID23434114
Molecular FormulaC16H12F2N2S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine
SMILESCc1c(-c2ccncc2)sc(-c2ccncc2)c1C(F)F
InChIInChI=1S/C16H12F2N2S/c1-10-13(16(17)18)15(12-4-8-20-9-5-12)21-14(10)11-2-6-19-7-3-11/h2-9,16H,1H3
InChIKeyWMABCBVIULBLLL-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine?
The IUPAC name of 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine (CID 23434114) is 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine.
What is the SMILES notation for 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine?
The canonical SMILES for 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine is Cc1c(-c2ccncc2)sc(-c2ccncc2)c1C(F)F.
What is the InChIKey of 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine?
The InChIKey is WMABCBVIULBLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2S/c1-10-13(16(17)18)15(12-4-8-20-9-5-12)21-14(10)11-2-6-19-7-3-11/h2-9,16H,1H3.
What are the key properties of 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine?
4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine has a molecular weight of 302.35 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-4-methyl-5-pyridin-4-ylthiophen-2-yl]pyridine is sourced from PubChem (CID 23434114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).