5-bromo-2-pyridin-3-yloxypyrimidine

C9H6BrN3O — CID 4279430

IUPAC5-bromo-2-pyridin-3-yloxypyrimidine
SMILESBrc1cnc(Oc2cccnc2)nc1
InChIInChI=1S/C9H6BrN3O/c10-7-4-12-9(13-5-7)14-8-2-1-3-11-6-8/h1-6H
InChIKeyWFNSVDJQCYAZLJ-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.43
Rot. Bonds2

About 5-bromo-2-pyridin-3-yloxypyrimidine

5-bromo-2-pyridin-3-yloxypyrimidine (PubChem CID 4279430) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 5-bromo-2-pyridin-3-yloxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-pyridin-3-yloxypyrimidine
PubChem CID4279430
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name5-bromo-2-pyridin-3-yloxypyrimidine
SMILESBrc1cnc(Oc2cccnc2)nc1
InChIInChI=1S/C9H6BrN3O/c10-7-4-12-9(13-5-7)14-8-2-1-3-11-6-8/h1-6H
InChIKeyWFNSVDJQCYAZLJ-UHFFFAOYSA-N
XLogP2.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyridin-3-yloxypyrimidine?
The IUPAC name of 5-bromo-2-pyridin-3-yloxypyrimidine (CID 4279430) is 5-bromo-2-pyridin-3-yloxypyrimidine.
What is the SMILES notation for 5-bromo-2-pyridin-3-yloxypyrimidine?
The canonical SMILES for 5-bromo-2-pyridin-3-yloxypyrimidine is Brc1cnc(Oc2cccnc2)nc1.
What is the InChIKey of 5-bromo-2-pyridin-3-yloxypyrimidine?
The InChIKey is WFNSVDJQCYAZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c10-7-4-12-9(13-5-7)14-8-2-1-3-11-6-8/h1-6H.
What are the key properties of 5-bromo-2-pyridin-3-yloxypyrimidine?
5-bromo-2-pyridin-3-yloxypyrimidine has a molecular weight of 252.07 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyridin-3-yloxypyrimidine is sourced from PubChem (CID 4279430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).