1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol

C14H11ClFN3O3 — CID 133487474

IUPAC1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol
SMILESO=[N+]([O-])c1cnc(N2CC(O)(c3ccc(F)cc3)C2)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O3/c15-12-5-11(19(21)22)6-17-13(12)18-7-14(20,8-18)9-1-3-10(16)4-2-9/h1-6,20H,7-8H2
InChIKeyXAZSSDIXZVFEFV-UHFFFAOYSA-N
MW323.71 g/mol
LogP2.49
Rot. Bonds3

About 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol

1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol (PubChem CID 133487474) has the molecular formula C14H11ClFN3O3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol
PubChem CID133487474
Molecular FormulaC14H11ClFN3O3
Molecular Weight323.71 g/mol
Exact Mass323.05
IUPAC Name1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol
SMILESO=[N+]([O-])c1cnc(N2CC(O)(c3ccc(F)cc3)C2)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O3/c15-12-5-11(19(21)22)6-17-13(12)18-7-14(20,8-18)9-1-3-10(16)4-2-9/h1-6,20H,7-8H2
InChIKeyXAZSSDIXZVFEFV-UHFFFAOYSA-N
XLogP2.49
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol?
The IUPAC name of 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol (CID 133487474) is 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol.
What is the SMILES notation for 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol?
The canonical SMILES for 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol is O=[N+]([O-])c1cnc(N2CC(O)(c3ccc(F)cc3)C2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol?
The InChIKey is XAZSSDIXZVFEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3/c15-12-5-11(19(21)22)6-17-13(12)18-7-14(20,8-18)9-1-3-10(16)4-2-9/h1-6,20H,7-8H2.
What are the key properties of 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol?
1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol has a molecular weight of 323.71 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-nitro-2-pyridinyl)-3-(4-fluorophenyl)azetidin-3-ol is sourced from PubChem (CID 133487474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).