4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile

C16H6N6 — CID 173302633

IUPAC4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile
SMILESN#CC1=C(C#N)N(C#N)C(C#N)C(C#N)=C1c1ccccc1
InChIInChI=1S/C16H6N6/c17-6-12-14(8-19)22(10-21)15(9-20)13(7-18)16(12)11-4-2-1-3-5-11/h1-5,14H
InChIKeyZCZDNBFKULGNBV-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.95
Rot. Bonds1

About 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile

4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile (PubChem CID 173302633) has the molecular formula C16H6N6 and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile.

Molecular Properties

Compound Name4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile
PubChem CID173302633
Molecular FormulaC16H6N6
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Name4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile
SMILESN#CC1=C(C#N)N(C#N)C(C#N)C(C#N)=C1c1ccccc1
InChIInChI=1S/C16H6N6/c17-6-12-14(8-19)22(10-21)15(9-20)13(7-18)16(12)11-4-2-1-3-5-11/h1-5,14H
InChIKeyZCZDNBFKULGNBV-UHFFFAOYSA-N
XLogP1.95
TPSA122.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

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(4aR,10bS)-2-phenyl-4,4a,5,10b-tetrahydropyrano[3,4-c]chromene-1-carbonitrile
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2,3,5-triphenyl-2H-1,3-oxazole-4-carbonitrile
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(3S,4R)-3-nitro-4,6-diphenyl-3,4-dihydro-2H-pyran-5-carbonitrile
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1,1,2,3,5,6-hexakis-phenyl-1λ5-phosphacyclohexa-1,3,5-triene-4-carbonitrile
CID 164787103
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4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
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2,6-diamino-4-(4-phenylphenyl)-4H-thiopyran-3,5-dicarbonitrile
CID 689281
2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 14066090
8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile?
The IUPAC name of 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile (CID 173302633) is 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile.
What is the SMILES notation for 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile?
The canonical SMILES for 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile is N#CC1=C(C#N)N(C#N)C(C#N)C(C#N)=C1c1ccccc1.
What is the InChIKey of 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile?
The InChIKey is ZCZDNBFKULGNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6N6/c17-6-12-14(8-19)22(10-21)15(9-20)13(7-18)16(12)11-4-2-1-3-5-11/h1-5,14H.
What are the key properties of 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile?
4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile has a molecular weight of 282.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2H-pyridine-1,2,3,5,6-pentacarbonitrile is sourced from PubChem (CID 173302633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).