3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol

C13H12FN3O — CID 133487482

IUPAC3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol
SMILESOC1(c2ccc(F)cc2)CN(c2ncccn2)C1
InChIInChI=1S/C13H12FN3O/c14-11-4-2-10(3-5-11)13(18)8-17(9-13)12-15-6-1-7-16-12/h1-7,18H,8-9H2
InChIKeyIJNPXMCJQKQFDO-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.32
Rot. Bonds2

About 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol

3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol (PubChem CID 133487482) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol
PubChem CID133487482
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol
SMILESOC1(c2ccc(F)cc2)CN(c2ncccn2)C1
InChIInChI=1S/C13H12FN3O/c14-11-4-2-10(3-5-11)13(18)8-17(9-13)12-15-6-1-7-16-12/h1-7,18H,8-9H2
InChIKeyIJNPXMCJQKQFDO-UHFFFAOYSA-N
XLogP1.32
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol?
The IUPAC name of 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol (CID 133487482) is 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol is OC1(c2ccc(F)cc2)CN(c2ncccn2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol?
The InChIKey is IJNPXMCJQKQFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-11-4-2-10(3-5-11)13(18)8-17(9-13)12-15-6-1-7-16-12/h1-7,18H,8-9H2.
What are the key properties of 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol?
3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol has a molecular weight of 245.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol is sourced from PubChem (CID 133487482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).