2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile

C16H11N3S2 — CID 947049

IUPAC2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccs2)nc1SCc1cccnc1
InChIInChI=1S/C16H11N3S2/c17-9-13-5-6-14(15-4-2-8-20-15)19-16(13)21-11-12-3-1-7-18-10-12/h1-8,10H,11H2
InChIKeyFAFGIEJBQHSQSU-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.37
Rot. Bonds4

About 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile

2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 947049) has the molecular formula C16H11N3S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID947049
Molecular FormulaC16H11N3S2
Molecular Weight309.42 g/mol
Exact Mass309.04
IUPAC Name2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccs2)nc1SCc1cccnc1
InChIInChI=1S/C16H11N3S2/c17-9-13-5-6-14(15-4-2-8-20-15)19-16(13)21-11-12-3-1-7-18-10-12/h1-8,10H,11H2
InChIKeyFAFGIEJBQHSQSU-UHFFFAOYSA-N
XLogP4.37
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile (CID 947049) is 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1ccc(-c2cccs2)nc1SCc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is FAFGIEJBQHSQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S2/c17-9-13-5-6-14(15-4-2-8-20-15)19-16(13)21-11-12-3-1-7-18-10-12/h1-8,10H,11H2.
What are the key properties of 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile?
2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 309.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 947049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).