2,2-dipyridin-2-ylacetonitrile

C12H9N3 — CID 14006057

IUPAC2,2-dipyridin-2-ylacetonitrile
SMILESN#CC(c1ccccn1)c1ccccn1
InChIInChI=1S/C12H9N3/c13-9-10(11-5-1-3-7-14-11)12-6-2-4-8-15-12/h1-8,10H
InChIKeyVVWJETKSWYYHER-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.13
Rot. Bonds2

About 2,2-dipyridin-2-ylacetonitrile

2,2-dipyridin-2-ylacetonitrile (PubChem CID 14006057) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2,2-dipyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2,2-dipyridin-2-ylacetonitrile
PubChem CID14006057
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name2,2-dipyridin-2-ylacetonitrile
SMILESN#CC(c1ccccn1)c1ccccn1
InChIInChI=1S/C12H9N3/c13-9-10(11-5-1-3-7-14-11)12-6-2-4-8-15-12/h1-8,10H
InChIKeyVVWJETKSWYYHER-UHFFFAOYSA-N
XLogP2.13
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile
CID 14170742
2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile
CID 10704351
2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile
CID 10536387
(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile
CID 163153177
2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide
CID 163153176
2-[cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide
CID 21143900
2-pyridin-2-ylbutanenitrile
CID 12520509
2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile
CID 11346899
2-[2-(cycloheptylamino)pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile
CID 11312842
2-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridin-2-ylacetonitrile
CID 4188937
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
[(1S)-1-pyridin-2-ylethyl]cyanamide
CID 81401683

Frequently Asked Questions

What is the IUPAC name of 2,2-dipyridin-2-ylacetonitrile?
The IUPAC name of 2,2-dipyridin-2-ylacetonitrile (CID 14006057) is 2,2-dipyridin-2-ylacetonitrile.
What is the SMILES notation for 2,2-dipyridin-2-ylacetonitrile?
The canonical SMILES for 2,2-dipyridin-2-ylacetonitrile is N#CC(c1ccccn1)c1ccccn1.
What is the InChIKey of 2,2-dipyridin-2-ylacetonitrile?
The InChIKey is VVWJETKSWYYHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c13-9-10(11-5-1-3-7-14-11)12-6-2-4-8-15-12/h1-8,10H.
What are the key properties of 2,2-dipyridin-2-ylacetonitrile?
2,2-dipyridin-2-ylacetonitrile has a molecular weight of 195.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipyridin-2-ylacetonitrile is sourced from PubChem (CID 14006057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).