1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole

C18H11FN4O3 — CID 22472972

IUPAC1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole
SMILESO=[N+]([O-])c1ccc(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)nc1
InChIInChI=1S/C18H11FN4O3/c19-13-1-3-14(4-2-13)22-17-7-6-16(9-12(17)10-21-22)26-18-8-5-15(11-20-18)23(24)25/h1-11H
InChIKeyUXRIFDJZRRLSIY-UHFFFAOYSA-N
MW350.31 g/mol
LogP4.26
Rot. Bonds4

About 1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole

1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole (PubChem CID 22472972) has the molecular formula C18H11FN4O3 and a molecular weight of 350.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole
PubChem CID22472972
Molecular FormulaC18H11FN4O3
Molecular Weight350.31 g/mol
Exact Mass350.08
IUPAC Name1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole
SMILESO=[N+]([O-])c1ccc(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)nc1
InChIInChI=1S/C18H11FN4O3/c19-13-1-3-14(4-2-13)22-17-7-6-16(9-12(17)10-21-22)26-18-8-5-15(11-20-18)23(24)25/h1-11H
InChIKeyUXRIFDJZRRLSIY-UHFFFAOYSA-N
XLogP4.26
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole (CID 22472972) is 1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole is O=[N+]([O-])c1ccc(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole?
The InChIKey is UXRIFDJZRRLSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O3/c19-13-1-3-14(4-2-13)22-17-7-6-16(9-12(17)10-21-22)26-18-8-5-15(11-20-18)23(24)25/h1-11H.
What are the key properties of 1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole?
1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole has a molecular weight of 350.31 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(5-nitro-2-pyridinyl)oxy]indazole is sourced from PubChem (CID 22472972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).