4-phenylpyridine-3,5-dicarbonitrile

C13H7N3 — CID 66612265

IUPAC4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cncc(C#N)c1-c1ccccc1
InChIInChI=1S/C13H7N3/c14-6-11-8-16-9-12(7-15)13(11)10-4-2-1-3-5-10/h1-5,8-9H
InChIKeyHSPPQIUKWHAWQX-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.49
Rot. Bonds1

About 4-phenylpyridine-3,5-dicarbonitrile

4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 66612265) has the molecular formula C13H7N3 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-phenylpyridine-3,5-dicarbonitrile
PubChem CID66612265
Molecular FormulaC13H7N3
Molecular Weight205.22 g/mol
Exact Mass205.06
IUPAC Name4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cncc(C#N)c1-c1ccccc1
InChIInChI=1S/C13H7N3/c14-6-11-8-16-9-12(7-15)13(11)10-4-2-1-3-5-10/h1-5,8-9H
InChIKeyHSPPQIUKWHAWQX-UHFFFAOYSA-N
XLogP2.49
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-phenylpyridine-3-carbonitrile
CID 84668137
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
3-ethynyl-2-phenylbenzonitrile
CID 174660644
4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455
4-(ethylamino)-5-phenylpyridine-3-carbonitrile
CID 69411207
4-hydroxy-2,3-diphenylbenzonitrile
CID 162768355
3-fluoro-2-phenylbenzonitrile
CID 46314737
6-methyl-4-phenylquinoline-3-carbonitrile
CID 141436065
2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile
CID 126496826
4-methyl-2-phenylbenzene-1,3-dicarbonitrile
CID 90016382
1-methyl-5-phenylpyrazole-4-carbonitrile
CID 139271334
2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 102437645

Frequently Asked Questions

What is the IUPAC name of 4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 4-phenylpyridine-3,5-dicarbonitrile (CID 66612265) is 4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-phenylpyridine-3,5-dicarbonitrile is N#Cc1cncc(C#N)c1-c1ccccc1.
What is the InChIKey of 4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is HSPPQIUKWHAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3/c14-6-11-8-16-9-12(7-15)13(11)10-4-2-1-3-5-10/h1-5,8-9H.
What are the key properties of 4-phenylpyridine-3,5-dicarbonitrile?
4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 205.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 66612265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).