2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile

C15H8N4 — CID 100974986

IUPAC2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#CC(=C=N)c1nc(-c2ccccc2)ccc1C#N
InChIInChI=1S/C15H8N4/c16-8-12-6-7-14(11-4-2-1-3-5-11)19-15(12)13(9-17)10-18/h1-7,17H
InChIKeyCYGVALBDILDYDF-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.78
Rot. Bonds2

About 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile

2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 100974986) has the molecular formula C15H8N4 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID100974986
Molecular FormulaC15H8N4
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC Name2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile
SMILESN#CC(=C=N)c1nc(-c2ccccc2)ccc1C#N
InChIInChI=1S/C15H8N4/c16-8-12-6-7-14(11-4-2-1-3-5-11)19-15(12)13(9-17)10-18/h1-7,17H
InChIKeyCYGVALBDILDYDF-UHFFFAOYSA-N
XLogP2.78
TPSA84.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile
CID 100974982
2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile
CID 791804
2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile
CID 10382230
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile
CID 2216887
6-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 133095528
6-phenyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
CID 2056242
2-phenyl-3-sulfanylideneprop-2-enenitrile
CID 12552733
3-methyl-6-phenylpyridine-2-carboxylic acid
CID 71435914
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile (CID 100974986) is 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile is N#CC(=C=N)c1nc(-c2ccccc2)ccc1C#N.
What is the InChIKey of 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is CYGVALBDILDYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4/c16-8-12-6-7-14(11-4-2-1-3-5-11)19-15(12)13(9-17)10-18/h1-7,17H.
What are the key properties of 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile?
2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 244.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 100974986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).