2-iodo-6-phenylpyridine-3,4-dicarbonitrile

C13H6IN3 — CID 45123386

IUPAC2-iodo-6-phenylpyridine-3,4-dicarbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(I)c1C#N
InChIInChI=1S/C13H6IN3/c14-13-11(8-16)10(7-15)6-12(17-13)9-4-2-1-3-5-9/h1-6H
InChIKeyHRGFXHOYIKEAQN-UHFFFAOYSA-N
MW331.12 g/mol
LogP3.10
Rot. Bonds1

About 2-iodo-6-phenylpyridine-3,4-dicarbonitrile

2-iodo-6-phenylpyridine-3,4-dicarbonitrile (PubChem CID 45123386) has the molecular formula C13H6IN3 and a molecular weight of 331.12 g/mol. Its IUPAC name is 2-iodo-6-phenylpyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-iodo-6-phenylpyridine-3,4-dicarbonitrile
PubChem CID45123386
Molecular FormulaC13H6IN3
Molecular Weight331.12 g/mol
Exact Mass330.96
IUPAC Name2-iodo-6-phenylpyridine-3,4-dicarbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(I)c1C#N
InChIInChI=1S/C13H6IN3/c14-13-11(8-16)10(7-15)6-12(17-13)9-4-2-1-3-5-9/h1-6H
InChIKeyHRGFXHOYIKEAQN-UHFFFAOYSA-N
XLogP3.10
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
5-phenyl-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
CID 24851900
copper;2,4-dimethyl-6-phenylpyridine-3-carbonitrile;dibromide
CID 68902117
2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile
CID 142753884
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
2-[6-phenyl-2-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 168836971
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile
CID 35212524
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-phenylpyridine-3,4-dicarbonitrile?
The IUPAC name of 2-iodo-6-phenylpyridine-3,4-dicarbonitrile (CID 45123386) is 2-iodo-6-phenylpyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-iodo-6-phenylpyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-iodo-6-phenylpyridine-3,4-dicarbonitrile is N#Cc1cc(-c2ccccc2)nc(I)c1C#N.
What is the InChIKey of 2-iodo-6-phenylpyridine-3,4-dicarbonitrile?
The InChIKey is HRGFXHOYIKEAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6IN3/c14-13-11(8-16)10(7-15)6-12(17-13)9-4-2-1-3-5-9/h1-6H.
What are the key properties of 2-iodo-6-phenylpyridine-3,4-dicarbonitrile?
2-iodo-6-phenylpyridine-3,4-dicarbonitrile has a molecular weight of 331.12 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-phenylpyridine-3,4-dicarbonitrile is sourced from PubChem (CID 45123386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).