2-phenylacetonitrile;pyridine

C13H12N2 — CID 22283000

IUPAC2-phenylacetonitrile;pyridine
SMILESN#CCc1ccccc1.c1ccncc1
InChIInChI=1S/C8H7N.C5H5N/c9-7-6-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-5H,6H2;1-5H
InChIKeyFMBKVCRZIVESSI-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.83
Rot. Bonds1

About 2-phenylacetonitrile;pyridine

2-phenylacetonitrile;pyridine (PubChem CID 22283000) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-phenylacetonitrile;pyridine.

Molecular Properties

Compound Name2-phenylacetonitrile;pyridine
PubChem CID22283000
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-phenylacetonitrile;pyridine
SMILESN#CCc1ccccc1.c1ccncc1
InChIInChI=1S/C8H7N.C5H5N/c9-7-6-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-5H,6H2;1-5H
InChIKeyFMBKVCRZIVESSI-UHFFFAOYSA-N
XLogP2.83
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylacetonitrile;pyridine?
The IUPAC name of 2-phenylacetonitrile;pyridine (CID 22283000) is 2-phenylacetonitrile;pyridine.
What is the SMILES notation for 2-phenylacetonitrile;pyridine?
The canonical SMILES for 2-phenylacetonitrile;pyridine is N#CCc1ccccc1.c1ccncc1.
What is the InChIKey of 2-phenylacetonitrile;pyridine?
The InChIKey is FMBKVCRZIVESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C5H5N/c9-7-6-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h1-5H,6H2;1-5H.
What are the key properties of 2-phenylacetonitrile;pyridine?
2-phenylacetonitrile;pyridine has a molecular weight of 196.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylacetonitrile;pyridine is sourced from PubChem (CID 22283000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).