5-pyridin-2-ylsulfanylpentanenitrile

C10H12N2S — CID 19843929

IUPAC5-pyridin-2-ylsulfanylpentanenitrile
SMILESN#CCCCCSc1ccccn1
InChIInChI=1S/C10H12N2S/c11-7-3-1-5-9-13-10-6-2-4-8-12-10/h2,4,6,8H,1,3,5,9H2
InChIKeyUCTRMDIAXYRCPQ-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.87
Rot. Bonds5

About 5-pyridin-2-ylsulfanylpentanenitrile

5-pyridin-2-ylsulfanylpentanenitrile (PubChem CID 19843929) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 5-pyridin-2-ylsulfanylpentanenitrile.

Molecular Properties

Compound Name5-pyridin-2-ylsulfanylpentanenitrile
PubChem CID19843929
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name5-pyridin-2-ylsulfanylpentanenitrile
SMILESN#CCCCCSc1ccccn1
InChIInChI=1S/C10H12N2S/c11-7-3-1-5-9-13-10-6-2-4-8-12-10/h2,4,6,8H,1,3,5,9H2
InChIKeyUCTRMDIAXYRCPQ-UHFFFAOYSA-N
XLogP2.87
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-ylsulfanylpentanenitrile?
The IUPAC name of 5-pyridin-2-ylsulfanylpentanenitrile (CID 19843929) is 5-pyridin-2-ylsulfanylpentanenitrile.
What is the SMILES notation for 5-pyridin-2-ylsulfanylpentanenitrile?
The canonical SMILES for 5-pyridin-2-ylsulfanylpentanenitrile is N#CCCCCSc1ccccn1.
What is the InChIKey of 5-pyridin-2-ylsulfanylpentanenitrile?
The InChIKey is UCTRMDIAXYRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c11-7-3-1-5-9-13-10-6-2-4-8-12-10/h2,4,6,8H,1,3,5,9H2.
What are the key properties of 5-pyridin-2-ylsulfanylpentanenitrile?
5-pyridin-2-ylsulfanylpentanenitrile has a molecular weight of 192.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-ylsulfanylpentanenitrile is sourced from PubChem (CID 19843929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).