2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile

C19H11N3 — CID 126496742

IUPAC2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H11N3/c20-12-16-7-4-8-17(13-21)19(16)15-6-3-5-14(11-15)18-9-1-2-10-22-18/h1-11H
InChIKeyXCBMCUXHWGTLLF-UHFFFAOYSA-N
MW281.32 g/mol
LogP4.16
Rot. Bonds2

About 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile

2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile (PubChem CID 126496742) has the molecular formula C19H11N3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile
PubChem CID126496742
Molecular FormulaC19H11N3
Molecular Weight281.32 g/mol
Exact Mass281.10
IUPAC Name2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H11N3/c20-12-16-7-4-8-17(13-21)19(16)15-6-3-5-14(11-15)18-9-1-2-10-22-18/h1-11H
InChIKeyXCBMCUXHWGTLLF-UHFFFAOYSA-N
XLogP4.16
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile
CID 126496802
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile
CID 155357773
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 166043478

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile (CID 126496742) is 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1cccc(-c2ccccn2)c1.
What is the InChIKey of 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile?
The InChIKey is XCBMCUXHWGTLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3/c20-12-16-7-4-8-17(13-21)19(16)15-6-3-5-14(11-15)18-9-1-2-10-22-18/h1-11H.
What are the key properties of 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile?
2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile has a molecular weight of 281.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 126496742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).