2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile

C25H13I2N3 — CID 176522065

IUPAC2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2cccc(I)c2)nc(-c2cccc(I)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C25H13I2N3/c26-19-10-4-8-17(12-19)24-21(14-28)23(16-6-2-1-3-7-16)22(15-29)25(30-24)18-9-5-11-20(27)13-18/h1-13H
InChIKeyYFDCVRMHGNWTAX-UHFFFAOYSA-N
MW609.21 g/mol
LogP7.04
Rot. Bonds3

About 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile

2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 176522065) has the molecular formula C25H13I2N3 and a molecular weight of 609.21 g/mol. Its IUPAC name is 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID176522065
Molecular FormulaC25H13I2N3
Molecular Weight609.21 g/mol
Exact Mass608.92
IUPAC Name2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2cccc(I)c2)nc(-c2cccc(I)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C25H13I2N3/c26-19-10-4-8-17(12-19)24-21(14-28)23(16-6-2-1-3-7-16)22(15-29)25(30-24)18-9-5-11-20(27)13-18/h1-13H
InChIKeyYFDCVRMHGNWTAX-UHFFFAOYSA-N
XLogP7.04
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.21
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
2-(3-fluorophenyl)-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 122525972
3-[3-(4-cyano-5-phenyl-1H-pyrazol-3-yl)phenyl]-5-phenyl-1H-pyrazole-4-carbonitrile
CID 118532822
1-(3-iodophenyl)-4-(3-phenylphenyl)benzene
CID 12670522
2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
CID 749918
2-iodo-6-phenylpyridine-3,4-dicarbonitrile
CID 45123386
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
2,4-diphenyl-6-phenylsulfanylpyrimidine-5-carbonitrile
CID 3816338
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862
4-(3-iodophenyl)-2-(4-iodophenyl)-6-phenylpyridine
CID 144989296
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile (CID 176522065) is 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(-c2cccc(I)c2)nc(-c2cccc(I)c2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is YFDCVRMHGNWTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13I2N3/c26-19-10-4-8-17(12-19)24-21(14-28)23(16-6-2-1-3-7-16)22(15-29)25(30-24)18-9-5-11-20(27)13-18/h1-13H.
What are the key properties of 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile?
2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 609.21 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-iodophenyl)-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 176522065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).