5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine

C10H8BrN3O2 — CID 42605979

IUPAC5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine
SMILESCOc1ncccc1Oc1ncc(Br)cn1
InChIInChI=1S/C10H8BrN3O2/c1-15-9-8(3-2-4-12-9)16-10-13-5-7(11)6-14-10/h2-6H,1H3
InChIKeyQLZFTSFEYIAFGX-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.43
Rot. Bonds3

About 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine

5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine (PubChem CID 42605979) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine
PubChem CID42605979
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine
SMILESCOc1ncccc1Oc1ncc(Br)cn1
InChIInChI=1S/C10H8BrN3O2/c1-15-9-8(3-2-4-12-9)16-10-13-5-7(11)6-14-10/h2-6H,1H3
InChIKeyQLZFTSFEYIAFGX-UHFFFAOYSA-N
XLogP2.43
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine (CID 42605979) is 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine is COc1ncccc1Oc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine?
The InChIKey is QLZFTSFEYIAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-15-9-8(3-2-4-12-9)16-10-13-5-7(11)6-14-10/h2-6H,1H3.
What are the key properties of 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine?
5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine has a molecular weight of 282.10 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methoxy-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 42605979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).