5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine

C15H10BrN3 — CID 90182458

IUPAC5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine
SMILESBrc1ccc(-c2ccc(-c3cccnc3)nc2)nc1
InChIInChI=1S/C15H10BrN3/c16-13-4-6-15(19-10-13)12-3-5-14(18-9-12)11-2-1-7-17-8-11/h1-10H
InChIKeyOMXQYQOGLGSZQE-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.97
Rot. Bonds2

About 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine

5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine (PubChem CID 90182458) has the molecular formula C15H10BrN3 and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine
PubChem CID90182458
Molecular FormulaC15H10BrN3
Molecular Weight312.17 g/mol
Exact Mass311.01
IUPAC Name5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine
SMILESBrc1ccc(-c2ccc(-c3cccnc3)nc2)nc1
InChIInChI=1S/C15H10BrN3/c16-13-4-6-15(19-10-13)12-3-5-14(18-9-12)11-2-1-7-17-8-11/h1-10H
InChIKeyOMXQYQOGLGSZQE-UHFFFAOYSA-N
XLogP3.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine?
The IUPAC name of 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine (CID 90182458) is 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine.
What is the SMILES notation for 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine?
The canonical SMILES for 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine is Brc1ccc(-c2ccc(-c3cccnc3)nc2)nc1.
What is the InChIKey of 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine?
The InChIKey is OMXQYQOGLGSZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3/c16-13-4-6-15(19-10-13)12-3-5-14(18-9-12)11-2-1-7-17-8-11/h1-10H.
What are the key properties of 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine?
5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine has a molecular weight of 312.17 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(6-pyridin-3-yl-3-pyridinyl)pyridine is sourced from PubChem (CID 90182458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).