2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile

C12H9N3 — CID 71732783

IUPAC2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile
SMILESN#CCc1cccc(-c2cccnc2)n1
InChIInChI=1S/C12H9N3/c13-7-6-11-4-1-5-12(15-11)10-3-2-8-14-9-10/h1-5,8-9H,6H2
InChIKeyLYJPLIWKWFIZPF-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.21
Rot. Bonds2

About 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile

2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile (PubChem CID 71732783) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile
PubChem CID71732783
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile
SMILESN#CCc1cccc(-c2cccnc2)n1
InChIInChI=1S/C12H9N3/c13-7-6-11-4-1-5-12(15-11)10-3-2-8-14-9-10/h1-5,8-9H,6H2
InChIKeyLYJPLIWKWFIZPF-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile (CID 71732783) is 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile is N#CCc1cccc(-c2cccnc2)n1.
What is the InChIKey of 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile?
The InChIKey is LYJPLIWKWFIZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c13-7-6-11-4-1-5-12(15-11)10-3-2-8-14-9-10/h1-5,8-9H,6H2.
What are the key properties of 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile?
2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile has a molecular weight of 195.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyridin-3-yl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 71732783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).