2-pyren-2-ylpyridine-4-carbonitrile

C22H12N2 — CID 118397173

IUPAC2-pyren-2-ylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cc3ccc4cccc5ccc(c2)c3c45)c1
InChIInChI=1S/C22H12N2/c23-13-14-8-9-24-20(10-14)19-11-17-6-4-15-2-1-3-16-5-7-18(12-19)22(17)21(15)16/h1-12H
InChIKeyWCKFCCXGZFBJQZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP5.52
Rot. Bonds1

About 2-pyren-2-ylpyridine-4-carbonitrile

2-pyren-2-ylpyridine-4-carbonitrile (PubChem CID 118397173) has the molecular formula C22H12N2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-pyren-2-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-pyren-2-ylpyridine-4-carbonitrile
PubChem CID118397173
Molecular FormulaC22H12N2
Molecular Weight304.35 g/mol
Exact Mass304.10
IUPAC Name2-pyren-2-ylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cc3ccc4cccc5ccc(c2)c3c45)c1
InChIInChI=1S/C22H12N2/c23-13-14-8-9-24-20(10-14)19-11-17-6-4-15-2-1-3-16-5-7-18(12-19)22(17)21(15)16/h1-12H
InChIKeyWCKFCCXGZFBJQZ-UHFFFAOYSA-N
XLogP5.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.35
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-pyren-2-ylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[7-(4-cyano-2-pyridinyl)pyren-2-yl]pyridine-4-carbonitrile
CID 118398062
2-(5-pyren-2-yl-2-pyridinyl)pyridine-4-carbonitrile
CID 118397170
2-quinolin-3-ylpyridine-4-carbonitrile
CID 56718080
2-[4-[6-[4-(4-cyano-2-pyridinyl)phenyl]pyren-1-yl]phenyl]pyridine-4-carbonitrile
CID 126542243
2-(3-methylphenyl)pyridine-4-carbonitrile
CID 102306874
2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
2-[3-[12-[3-(4-cyano-2-pyridinyl)phenyl]chrysen-6-yl]phenyl]pyridine-4-carbonitrile
CID 118398063
2-[3-[4-[3-(4-cyano-2-pyridinyl)phenyl]-2,3-diphenylnaphthalen-1-yl]phenyl]pyridine-4-carbonitrile
CID 118397675
2-(7-phenylbenzo[c]carbazol-10-yl)pyridine-4-carbonitrile
CID 118397617
2-[2-(4-chlorophenyl)-4-pyridinyl]pyridine-4-carbonitrile
CID 162406878
2-(4-propan-2-ylphenyl)pyridine-4-carbonitrile
CID 117001817
4-[N-naphthalen-1-yl-4-(7-pyridin-2-ylpyren-2-yl)anilino]benzonitrile
CID 90308102

Frequently Asked Questions

What is the IUPAC name of 2-pyren-2-ylpyridine-4-carbonitrile?
The IUPAC name of 2-pyren-2-ylpyridine-4-carbonitrile (CID 118397173) is 2-pyren-2-ylpyridine-4-carbonitrile.
What is the SMILES notation for 2-pyren-2-ylpyridine-4-carbonitrile?
The canonical SMILES for 2-pyren-2-ylpyridine-4-carbonitrile is N#Cc1ccnc(-c2cc3ccc4cccc5ccc(c2)c3c45)c1.
What is the InChIKey of 2-pyren-2-ylpyridine-4-carbonitrile?
The InChIKey is WCKFCCXGZFBJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2/c23-13-14-8-9-24-20(10-14)19-11-17-6-4-15-2-1-3-16-5-7-18(12-19)22(17)21(15)16/h1-12H.
What are the key properties of 2-pyren-2-ylpyridine-4-carbonitrile?
2-pyren-2-ylpyridine-4-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyren-2-ylpyridine-4-carbonitrile is sourced from PubChem (CID 118397173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).