2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine

C19H14N2 — CID 54587764

IUPAC2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine
SMILESNc1ccnc(-c2cccc(C#Cc3ccccc3)c2)c1
InChIInChI=1S/C19H14N2/c20-18-11-12-21-19(14-18)17-8-4-7-16(13-17)10-9-15-5-2-1-3-6-15/h1-8,11-14H,(H2,20,21)
InChIKeyHQWVBEBSVKZWKG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.73
Rot. Bonds1

About 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine

2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine (PubChem CID 54587764) has the molecular formula C19H14N2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine
PubChem CID54587764
Molecular FormulaC19H14N2
Molecular Weight270.33 g/mol
Exact Mass270.12
IUPAC Name2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine
SMILESNc1ccnc(-c2cccc(C#Cc3ccccc3)c2)c1
InChIInChI=1S/C19H14N2/c20-18-11-12-21-19(14-18)17-8-4-7-16(13-17)10-9-15-5-2-1-3-6-15/h1-8,11-14H,(H2,20,21)
InChIKeyHQWVBEBSVKZWKG-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine?
The IUPAC name of 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine (CID 54587764) is 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine.
What is the SMILES notation for 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine?
The canonical SMILES for 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine is Nc1ccnc(-c2cccc(C#Cc3ccccc3)c2)c1.
What is the InChIKey of 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine?
The InChIKey is HQWVBEBSVKZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c20-18-11-12-21-19(14-18)17-8-4-7-16(13-17)10-9-15-5-2-1-3-6-15/h1-8,11-14H,(H2,20,21).
What are the key properties of 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine?
2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine has a molecular weight of 270.33 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethynyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 54587764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).