4-chloro-6-ethoxy-5-fluoropyrimidine

C6H6ClFN2O — CID 89320924

IUPAC4-chloro-6-ethoxy-5-fluoropyrimidine
SMILESCCOc1ncnc(Cl)c1F
InChIInChI=1S/C6H6ClFN2O/c1-2-11-6-4(8)5(7)9-3-10-6/h3H,2H2,1H3
InChIKeyWXEIPBCXBWJKEK-UHFFFAOYSA-N
MW176.58 g/mol
LogP1.67
Rot. Bonds2

About 4-chloro-6-ethoxy-5-fluoropyrimidine

4-chloro-6-ethoxy-5-fluoropyrimidine (PubChem CID 89320924) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-5-fluoropyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-5-fluoropyrimidine
PubChem CID89320924
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name4-chloro-6-ethoxy-5-fluoropyrimidine
SMILESCCOc1ncnc(Cl)c1F
InChIInChI=1S/C6H6ClFN2O/c1-2-11-6-4(8)5(7)9-3-10-6/h3H,2H2,1H3
InChIKeyWXEIPBCXBWJKEK-UHFFFAOYSA-N
XLogP1.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-5-fluoropyrimidine?
The IUPAC name of 4-chloro-6-ethoxy-5-fluoropyrimidine (CID 89320924) is 4-chloro-6-ethoxy-5-fluoropyrimidine.
What is the SMILES notation for 4-chloro-6-ethoxy-5-fluoropyrimidine?
The canonical SMILES for 4-chloro-6-ethoxy-5-fluoropyrimidine is CCOc1ncnc(Cl)c1F.
What is the InChIKey of 4-chloro-6-ethoxy-5-fluoropyrimidine?
The InChIKey is WXEIPBCXBWJKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c1-2-11-6-4(8)5(7)9-3-10-6/h3H,2H2,1H3.
What are the key properties of 4-chloro-6-ethoxy-5-fluoropyrimidine?
4-chloro-6-ethoxy-5-fluoropyrimidine has a molecular weight of 176.58 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-5-fluoropyrimidine is sourced from PubChem (CID 89320924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).