4-chloro-5-fluoro-6-methoxypyrimidine

C5H4ClFN2O — CID 18736671

IUPAC4-chloro-5-fluoro-6-methoxypyrimidine
SMILESCOc1ncnc(Cl)c1F
InChIInChI=1S/C5H4ClFN2O/c1-10-5-3(7)4(6)8-2-9-5/h2H,1H3
InChIKeyCSUZTSMFHMVUKW-UHFFFAOYSA-N
MW162.55 g/mol
LogP1.28
Rot. Bonds1

About 4-chloro-5-fluoro-6-methoxypyrimidine

4-chloro-5-fluoro-6-methoxypyrimidine (PubChem CID 18736671) has the molecular formula C5H4ClFN2O and a molecular weight of 162.55 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methoxypyrimidine
PubChem CID18736671
Molecular FormulaC5H4ClFN2O
Molecular Weight162.55 g/mol
Exact Mass162.00
IUPAC Name4-chloro-5-fluoro-6-methoxypyrimidine
SMILESCOc1ncnc(Cl)c1F
InChIInChI=1S/C5H4ClFN2O/c1-10-5-3(7)4(6)8-2-9-5/h2H,1H3
InChIKeyCSUZTSMFHMVUKW-UHFFFAOYSA-N
XLogP1.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methoxypyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methoxypyrimidine (CID 18736671) is 4-chloro-5-fluoro-6-methoxypyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methoxypyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methoxypyrimidine is COc1ncnc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methoxypyrimidine?
The InChIKey is CSUZTSMFHMVUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O/c1-10-5-3(7)4(6)8-2-9-5/h2H,1H3.
What are the key properties of 4-chloro-5-fluoro-6-methoxypyrimidine?
4-chloro-5-fluoro-6-methoxypyrimidine has a molecular weight of 162.55 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methoxypyrimidine is sourced from PubChem (CID 18736671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).