pyridine;2-thiophen-2-ylacetonitrile

C11H10N2S — CID 175390831

IUPACpyridine;2-thiophen-2-ylacetonitrile
SMILESN#CCc1cccs1.c1ccncc1
InChIInChI=1S/C6H5NS.C5H5N/c7-4-3-6-2-1-5-8-6;1-2-4-6-5-3-1/h1-2,5H,3H2;1-5H
InChIKeyAFBIXXJPDFRAPV-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.90
Rot. Bonds1

About pyridine;2-thiophen-2-ylacetonitrile

pyridine;2-thiophen-2-ylacetonitrile (PubChem CID 175390831) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is pyridine;2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Namepyridine;2-thiophen-2-ylacetonitrile
PubChem CID175390831
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Namepyridine;2-thiophen-2-ylacetonitrile
SMILESN#CCc1cccs1.c1ccncc1
InChIInChI=1S/C6H5NS.C5H5N/c7-4-3-6-2-1-5-8-6;1-2-4-6-5-3-1/h1-2,5H,3H2;1-5H
InChIKeyAFBIXXJPDFRAPV-UHFFFAOYSA-N
XLogP2.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(thiophen-2-ylmethylamino)pyrazine-2-carbonitrile
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2-(bromomethyl)thiophene
CID 11829978
2-(1,3-thiazol-2-yl)acetonitrile
CID 4913352
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
3-(thiophen-2-ylmethoxy)butanenitrile
CID 114995813
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
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bis(pyridine);hydrate;hydrochloride
CID 173340794

Frequently Asked Questions

What is the IUPAC name of pyridine;2-thiophen-2-ylacetonitrile?
The IUPAC name of pyridine;2-thiophen-2-ylacetonitrile (CID 175390831) is pyridine;2-thiophen-2-ylacetonitrile.
What is the SMILES notation for pyridine;2-thiophen-2-ylacetonitrile?
The canonical SMILES for pyridine;2-thiophen-2-ylacetonitrile is N#CCc1cccs1.c1ccncc1.
What is the InChIKey of pyridine;2-thiophen-2-ylacetonitrile?
The InChIKey is AFBIXXJPDFRAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS.C5H5N/c7-4-3-6-2-1-5-8-6;1-2-4-6-5-3-1/h1-2,5H,3H2;1-5H.
What are the key properties of pyridine;2-thiophen-2-ylacetonitrile?
pyridine;2-thiophen-2-ylacetonitrile has a molecular weight of 202.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 175390831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).