2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile

C15H9N3S — CID 162413729

IUPAC2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccnc(-c3ccsc3)c2)c1
InChIInChI=1S/C15H9N3S/c16-9-11-1-4-17-14(7-11)12-2-5-18-15(8-12)13-3-6-19-10-13/h1-8,10H
InChIKeyAXPSHZLFCSMDBE-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.74
Rot. Bonds2

About 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile

2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile (PubChem CID 162413729) has the molecular formula C15H9N3S and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile
PubChem CID162413729
Molecular FormulaC15H9N3S
Molecular Weight263.33 g/mol
Exact Mass263.05
IUPAC Name2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccnc(-c3ccsc3)c2)c1
InChIInChI=1S/C15H9N3S/c16-9-11-1-4-17-14(7-11)12-2-5-18-15(8-12)13-3-6-19-10-13/h1-8,10H
InChIKeyAXPSHZLFCSMDBE-UHFFFAOYSA-N
XLogP3.74
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
CID 162406878
2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
CID 118398062
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874
4-(4-chloro-5-methylthiophen-2-yl)-2-thiophen-3-ylpyridine
CID 144539021
4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine
CID 90289832
2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 59723171
2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
CID 117001817
2-[4-[6-[4-(4-cyano-2-pyridinyl)phenyl]pyren-1-yl]phenyl]pyridine-4-carbonitrile
CID 126542243
2-[3-[12-[3-(4-cyano-2-pyridinyl)phenyl]chrysen-6-yl]phenyl]pyridine-4-carbonitrile
CID 118398063
2-[3-[4-[3-(4-cyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile
CID 118397675
2-pyren-2-ylpyridine-4-carbonitrile
CID 118397173

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile (CID 162413729) is 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile is N#Cc1ccnc(-c2ccnc(-c3ccsc3)c2)c1.
What is the InChIKey of 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile?
The InChIKey is AXPSHZLFCSMDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3S/c16-9-11-1-4-17-14(7-11)12-2-5-18-15(8-12)13-3-6-19-10-13/h1-8,10H.
What are the key properties of 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile?
2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile has a molecular weight of 263.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-yl-4-pyridinyl)pyridine-4-carbonitrile is sourced from PubChem (CID 162413729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).