2-(6-chloropyrimidin-4-yl)oxyethanol

C6H7ClN2O2 — CID 12564886

IUPAC2-(6-chloropyrimidin-4-yl)oxyethanol
SMILESOCCOc1cc(Cl)ncn1
InChIInChI=1S/C6H7ClN2O2/c7-5-3-6(9-4-8-5)11-2-1-10/h3-4,10H,1-2H2
InChIKeyLOOJQJLUVMRPHE-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.50
Rot. Bonds3

About 2-(6-chloropyrimidin-4-yl)oxyethanol

2-(6-chloropyrimidin-4-yl)oxyethanol (PubChem CID 12564886) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)oxyethanol
PubChem CID12564886
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-(6-chloropyrimidin-4-yl)oxyethanol
SMILESOCCOc1cc(Cl)ncn1
InChIInChI=1S/C6H7ClN2O2/c7-5-3-6(9-4-8-5)11-2-1-10/h3-4,10H,1-2H2
InChIKeyLOOJQJLUVMRPHE-UHFFFAOYSA-N
XLogP0.50
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)oxyethanol?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)oxyethanol (CID 12564886) is 2-(6-chloropyrimidin-4-yl)oxyethanol.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)oxyethanol?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)oxyethanol is OCCOc1cc(Cl)ncn1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)oxyethanol?
The InChIKey is LOOJQJLUVMRPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c7-5-3-6(9-4-8-5)11-2-1-10/h3-4,10H,1-2H2.
What are the key properties of 2-(6-chloropyrimidin-4-yl)oxyethanol?
2-(6-chloropyrimidin-4-yl)oxyethanol has a molecular weight of 174.59 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)oxyethanol is sourced from PubChem (CID 12564886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).