2-bromo-5-fluoro-4-methoxypyrimidine

C5H4BrFN2O — CID 130649827

IUPAC2-bromo-5-fluoro-4-methoxypyrimidine
SMILESCOc1nc(Br)ncc1F
InChIInChI=1S/C5H4BrFN2O/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3
InChIKeyQRUWMORLAFGVRK-UHFFFAOYSA-N
MW207.00 g/mol
LogP1.39
Rot. Bonds1

About 2-bromo-5-fluoro-4-methoxypyrimidine

2-bromo-5-fluoro-4-methoxypyrimidine (PubChem CID 130649827) has the molecular formula C5H4BrFN2O and a molecular weight of 207.00 g/mol. Its IUPAC name is 2-bromo-5-fluoro-4-methoxypyrimidine.

Molecular Properties

Compound Name2-bromo-5-fluoro-4-methoxypyrimidine
PubChem CID130649827
Molecular FormulaC5H4BrFN2O
Molecular Weight207.00 g/mol
Exact Mass205.95
IUPAC Name2-bromo-5-fluoro-4-methoxypyrimidine
SMILESCOc1nc(Br)ncc1F
InChIInChI=1S/C5H4BrFN2O/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3
InChIKeyQRUWMORLAFGVRK-UHFFFAOYSA-N
XLogP1.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.00
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-4-methoxypyrimidine?
The IUPAC name of 2-bromo-5-fluoro-4-methoxypyrimidine (CID 130649827) is 2-bromo-5-fluoro-4-methoxypyrimidine.
What is the SMILES notation for 2-bromo-5-fluoro-4-methoxypyrimidine?
The canonical SMILES for 2-bromo-5-fluoro-4-methoxypyrimidine is COc1nc(Br)ncc1F.
What is the InChIKey of 2-bromo-5-fluoro-4-methoxypyrimidine?
The InChIKey is QRUWMORLAFGVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2O/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3.
What are the key properties of 2-bromo-5-fluoro-4-methoxypyrimidine?
2-bromo-5-fluoro-4-methoxypyrimidine has a molecular weight of 207.00 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-4-methoxypyrimidine is sourced from PubChem (CID 130649827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).