3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile

C10H9FN2O — CID 130881763

IUPAC3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile
SMILESN#Cc1cc(F)c(O)c([C@H]2CCN2)c1
InChIInChI=1S/C10H9FN2O/c11-8-4-6(5-12)3-7(10(8)14)9-1-2-13-9/h3-4,9,13-14H,1-2H2/t9-/m1/s1
InChIKeyRDGFNCRXIIHQPZ-SECBINFHSA-N
MW192.19 g/mol
LogP1.44
Rot. Bonds1

About 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile

3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile (PubChem CID 130881763) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile
PubChem CID130881763
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile
SMILESN#Cc1cc(F)c(O)c([C@H]2CCN2)c1
InChIInChI=1S/C10H9FN2O/c11-8-4-6(5-12)3-7(10(8)14)9-1-2-13-9/h3-4,9,13-14H,1-2H2/t9-/m1/s1
InChIKeyRDGFNCRXIIHQPZ-SECBINFHSA-N
XLogP1.44
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile?
The IUPAC name of 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile (CID 130881763) is 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile.
What is the SMILES notation for 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile?
The canonical SMILES for 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile is N#Cc1cc(F)c(O)c([C@H]2CCN2)c1.
What is the InChIKey of 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile?
The InChIKey is RDGFNCRXIIHQPZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-8-4-6(5-12)3-7(10(8)14)9-1-2-13-9/h3-4,9,13-14H,1-2H2/t9-/m1/s1.
What are the key properties of 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile?
3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile has a molecular weight of 192.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-azetidin-2-yl]-5-fluoro-4-hydroxybenzonitrile is sourced from PubChem (CID 130881763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).