3-(2-chloropyrimidin-5-yl)oxetan-3-ol

C7H7ClN2O2 — CID 130366378

IUPAC3-(2-chloropyrimidin-5-yl)oxetan-3-ol
SMILESOC1(c2cnc(Cl)nc2)COC1
InChIInChI=1S/C7H7ClN2O2/c8-6-9-1-5(2-10-6)7(11)3-12-4-7/h1-2,11H,3-4H2
InChIKeyFXBDZRPZSUCKMO-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.35
Rot. Bonds1

About 3-(2-chloropyrimidin-5-yl)oxetan-3-ol

3-(2-chloropyrimidin-5-yl)oxetan-3-ol (PubChem CID 130366378) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-5-yl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2-chloropyrimidin-5-yl)oxetan-3-ol
PubChem CID130366378
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name3-(2-chloropyrimidin-5-yl)oxetan-3-ol
SMILESOC1(c2cnc(Cl)nc2)COC1
InChIInChI=1S/C7H7ClN2O2/c8-6-9-1-5(2-10-6)7(11)3-12-4-7/h1-2,11H,3-4H2
InChIKeyFXBDZRPZSUCKMO-UHFFFAOYSA-N
XLogP0.35
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-5-yl)oxetan-3-ol?
The IUPAC name of 3-(2-chloropyrimidin-5-yl)oxetan-3-ol (CID 130366378) is 3-(2-chloropyrimidin-5-yl)oxetan-3-ol.
What is the SMILES notation for 3-(2-chloropyrimidin-5-yl)oxetan-3-ol?
The canonical SMILES for 3-(2-chloropyrimidin-5-yl)oxetan-3-ol is OC1(c2cnc(Cl)nc2)COC1.
What is the InChIKey of 3-(2-chloropyrimidin-5-yl)oxetan-3-ol?
The InChIKey is FXBDZRPZSUCKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-6-9-1-5(2-10-6)7(11)3-12-4-7/h1-2,11H,3-4H2.
What are the key properties of 3-(2-chloropyrimidin-5-yl)oxetan-3-ol?
3-(2-chloropyrimidin-5-yl)oxetan-3-ol has a molecular weight of 186.60 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-5-yl)oxetan-3-ol is sourced from PubChem (CID 130366378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).