5-bromo-2-pyridin-4-yloxypyrimidine

C9H6BrN3O — CID 27281303

IUPAC5-bromo-2-pyridin-4-yloxypyrimidine
SMILESBrc1cnc(Oc2ccncc2)nc1
InChIInChI=1S/C9H6BrN3O/c10-7-5-12-9(13-6-7)14-8-1-3-11-4-2-8/h1-6H
InChIKeyRHULGZQGULVSMO-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.43
Rot. Bonds2

About 5-bromo-2-pyridin-4-yloxypyrimidine

5-bromo-2-pyridin-4-yloxypyrimidine (PubChem CID 27281303) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 5-bromo-2-pyridin-4-yloxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-pyridin-4-yloxypyrimidine
PubChem CID27281303
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name5-bromo-2-pyridin-4-yloxypyrimidine
SMILESBrc1cnc(Oc2ccncc2)nc1
InChIInChI=1S/C9H6BrN3O/c10-7-5-12-9(13-6-7)14-8-1-3-11-4-2-8/h1-6H
InChIKeyRHULGZQGULVSMO-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-4-yloxypyrimidine?
The IUPAC name of 5-bromo-2-pyridin-4-yloxypyrimidine (CID 27281303) is 5-bromo-2-pyridin-4-yloxypyrimidine.
What is the SMILES notation for 5-bromo-2-pyridin-4-yloxypyrimidine?
The canonical SMILES for 5-bromo-2-pyridin-4-yloxypyrimidine is Brc1cnc(Oc2ccncc2)nc1.
What is the InChIKey of 5-bromo-2-pyridin-4-yloxypyrimidine?
The InChIKey is RHULGZQGULVSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c10-7-5-12-9(13-6-7)14-8-1-3-11-4-2-8/h1-6H.
What are the key properties of 5-bromo-2-pyridin-4-yloxypyrimidine?
5-bromo-2-pyridin-4-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-4-yloxypyrimidine is sourced from PubChem (CID 27281303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).