3-phenyl-3-pyridin-3-ylpropanenitrile

C14H12N2 — CID 12632111

IUPAC3-phenyl-3-pyridin-3-ylpropanenitrile
SMILESN#CCC(c1ccccc1)c1cccnc1
InChIInChI=1S/C14H12N2/c15-9-8-14(12-5-2-1-3-6-12)13-7-4-10-16-11-13/h1-7,10-11,14H,8H2
InChIKeyMMCKFCPRBQVQRG-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.13
Rot. Bonds3

About 3-phenyl-3-pyridin-3-ylpropanenitrile

3-phenyl-3-pyridin-3-ylpropanenitrile (PubChem CID 12632111) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-phenyl-3-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name3-phenyl-3-pyridin-3-ylpropanenitrile
PubChem CID12632111
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-phenyl-3-pyridin-3-ylpropanenitrile
SMILESN#CCC(c1ccccc1)c1cccnc1
InChIInChI=1S/C14H12N2/c15-9-8-14(12-5-2-1-3-6-12)13-7-4-10-16-11-13/h1-7,10-11,14H,8H2
InChIKeyMMCKFCPRBQVQRG-UHFFFAOYSA-N
XLogP3.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-pyridin-3-ylpropanenitrile?
The IUPAC name of 3-phenyl-3-pyridin-3-ylpropanenitrile (CID 12632111) is 3-phenyl-3-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 3-phenyl-3-pyridin-3-ylpropanenitrile?
The canonical SMILES for 3-phenyl-3-pyridin-3-ylpropanenitrile is N#CCC(c1ccccc1)c1cccnc1.
What is the InChIKey of 3-phenyl-3-pyridin-3-ylpropanenitrile?
The InChIKey is MMCKFCPRBQVQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c15-9-8-14(12-5-2-1-3-6-12)13-7-4-10-16-11-13/h1-7,10-11,14H,8H2.
What are the key properties of 3-phenyl-3-pyridin-3-ylpropanenitrile?
3-phenyl-3-pyridin-3-ylpropanenitrile has a molecular weight of 208.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 12632111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).