2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine

C23H22N4 — CID 175182195

IUPAC2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine
SMILESCc1ccnc(C)c1C.c1ccc(-c2cccnc2-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.C8H11N/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;1-6-4-5-9-8(3)7(6)2/h1-11H;4-5H,1-3H3
InChIKeyISMKWFNNTUFYDA-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.21
Rot. Bonds2

About 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine

2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine (PubChem CID 175182195) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine.

Molecular Properties

Compound Name2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine
PubChem CID175182195
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine
SMILESCc1ccnc(C)c1C.c1ccc(-c2cccnc2-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.C8H11N/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;1-6-4-5-9-8(3)7(6)2/h1-11H;4-5H,1-3H3
InChIKeyISMKWFNNTUFYDA-UHFFFAOYSA-N
XLogP5.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine?
The IUPAC name of 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine (CID 175182195) is 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine.
What is the SMILES notation for 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine?
The canonical SMILES for 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine is Cc1ccnc(C)c1C.c1ccc(-c2cccnc2-c2ccccn2)nc1.
What is the InChIKey of 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine?
The InChIKey is ISMKWFNNTUFYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C8H11N/c1-3-9-16-13(7-1)12-6-5-11-18-15(12)14-8-2-4-10-17-14;1-6-4-5-9-8(3)7(6)2/h1-11H;4-5H,1-3H3.
What are the key properties of 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine?
2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine has a molecular weight of 354.46 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipyridin-2-ylpyridine;2,3,4-trimethylpyridine is sourced from PubChem (CID 175182195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).