N-phenylaniline;2-pyridin-2-ylpyridine

C22H19N3 — CID 175252376

IUPACN-phenylaniline;2-pyridin-2-ylpyridine
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C10H8N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-10,13H;1-8H
InChIKeyJJEHWMWWNOKOQB-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.57
Rot. Bonds3

About N-phenylaniline;2-pyridin-2-ylpyridine

N-phenylaniline;2-pyridin-2-ylpyridine (PubChem CID 175252376) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-phenylaniline;2-pyridin-2-ylpyridine.

Molecular Properties

Compound NameN-phenylaniline;2-pyridin-2-ylpyridine
PubChem CID175252376
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC NameN-phenylaniline;2-pyridin-2-ylpyridine
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H11N.C10H8N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-10,13H;1-8H
InChIKeyJJEHWMWWNOKOQB-UHFFFAOYSA-N
XLogP5.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

nickel;tris(2-pyridin-2-ylpyridine)
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CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
pyrrolo[3,2-b]azepine
CID 66934182
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
CID 139154451

Frequently Asked Questions

What is the IUPAC name of N-phenylaniline;2-pyridin-2-ylpyridine?
The IUPAC name of N-phenylaniline;2-pyridin-2-ylpyridine (CID 175252376) is N-phenylaniline;2-pyridin-2-ylpyridine.
What is the SMILES notation for N-phenylaniline;2-pyridin-2-ylpyridine?
The canonical SMILES for N-phenylaniline;2-pyridin-2-ylpyridine is c1ccc(-c2ccccn2)nc1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-phenylaniline;2-pyridin-2-ylpyridine?
The InChIKey is JJEHWMWWNOKOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.C10H8N2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-10,13H;1-8H.
What are the key properties of N-phenylaniline;2-pyridin-2-ylpyridine?
N-phenylaniline;2-pyridin-2-ylpyridine has a molecular weight of 325.42 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylaniline;2-pyridin-2-ylpyridine is sourced from PubChem (CID 175252376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).