4-bromopyridine;4,5-diphenyltriazine

C20H15BrN4 — CID 175045379

IUPAC4-bromopyridine;4,5-diphenyltriazine
SMILESBrc1ccncc1.c1ccc(-c2cnnnc2-c2ccccc2)cc1
InChIInChI=1S/C15H11N3.C5H4BrN/c1-3-7-12(8-4-1)14-11-16-18-17-15(14)13-9-5-2-6-10-13;6-5-1-3-7-4-2-5/h1-11H;1-4H
InChIKeyAJQVUDHAPKXMPW-UHFFFAOYSA-N
MW391.27 g/mol
LogP5.05
Rot. Bonds2

About 4-bromopyridine;4,5-diphenyltriazine

4-bromopyridine;4,5-diphenyltriazine (PubChem CID 175045379) has the molecular formula C20H15BrN4 and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-bromopyridine;4,5-diphenyltriazine.

Molecular Properties

Compound Name4-bromopyridine;4,5-diphenyltriazine
PubChem CID175045379
Molecular FormulaC20H15BrN4
Molecular Weight391.27 g/mol
Exact Mass390.05
IUPAC Name4-bromopyridine;4,5-diphenyltriazine
SMILESBrc1ccncc1.c1ccc(-c2cnnnc2-c2ccccc2)cc1
InChIInChI=1S/C15H11N3.C5H4BrN/c1-3-7-12(8-4-1)14-11-16-18-17-15(14)13-9-5-2-6-10-13;6-5-1-3-7-4-2-5/h1-11H;1-4H
InChIKeyAJQVUDHAPKXMPW-UHFFFAOYSA-N
XLogP5.05
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.27
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine;4,5-diphenyltriazine?
The IUPAC name of 4-bromopyridine;4,5-diphenyltriazine (CID 175045379) is 4-bromopyridine;4,5-diphenyltriazine.
What is the SMILES notation for 4-bromopyridine;4,5-diphenyltriazine?
The canonical SMILES for 4-bromopyridine;4,5-diphenyltriazine is Brc1ccncc1.c1ccc(-c2cnnnc2-c2ccccc2)cc1.
What is the InChIKey of 4-bromopyridine;4,5-diphenyltriazine?
The InChIKey is AJQVUDHAPKXMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C5H4BrN/c1-3-7-12(8-4-1)14-11-16-18-17-15(14)13-9-5-2-6-10-13;6-5-1-3-7-4-2-5/h1-11H;1-4H.
What are the key properties of 4-bromopyridine;4,5-diphenyltriazine?
4-bromopyridine;4,5-diphenyltriazine has a molecular weight of 391.27 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridine;4,5-diphenyltriazine is sourced from PubChem (CID 175045379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).