1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol

C7H7ClFN3O — CID 155591626

IUPAC1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol
SMILESOC1CN(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C7H7ClFN3O/c8-6-5(9)7(11-3-10-6)12-1-4(13)2-12/h3-4,13H,1-2H2
InChIKeyFAIAHBCWNQFXDZ-UHFFFAOYSA-N
MW203.60 g/mol
LogP0.45
Rot. Bonds1

About 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol

1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol (PubChem CID 155591626) has the molecular formula C7H7ClFN3O and a molecular weight of 203.60 g/mol. Its IUPAC name is 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol
PubChem CID155591626
Molecular FormulaC7H7ClFN3O
Molecular Weight203.60 g/mol
Exact Mass203.03
IUPAC Name1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol
SMILESOC1CN(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C7H7ClFN3O/c8-6-5(9)7(11-3-10-6)12-1-4(13)2-12/h3-4,13H,1-2H2
InChIKeyFAIAHBCWNQFXDZ-UHFFFAOYSA-N
XLogP0.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol?
The IUPAC name of 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol (CID 155591626) is 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol?
The canonical SMILES for 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol is OC1CN(c2ncnc(Cl)c2F)C1.
What is the InChIKey of 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol?
The InChIKey is FAIAHBCWNQFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3O/c8-6-5(9)7(11-3-10-6)12-1-4(13)2-12/h3-4,13H,1-2H2.
What are the key properties of 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol?
1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol has a molecular weight of 203.60 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-fluoropyrimidin-4-yl)azetidin-3-ol is sourced from PubChem (CID 155591626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).