1-[(4-fluorophenyl)methyl]-5-nitroindazole

C14H10FN3O2 — CID 53422151

IUPAC1-[(4-fluorophenyl)methyl]-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H10FN3O2/c15-12-3-1-10(2-4-12)9-17-14-6-5-13(18(19)20)7-11(14)8-16-17/h1-8H,9H2
InChIKeyXZTQOLZBKIYIQF-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.13
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-nitroindazole

1-[(4-fluorophenyl)methyl]-5-nitroindazole (PubChem CID 53422151) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-nitroindazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-nitroindazole
PubChem CID53422151
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name1-[(4-fluorophenyl)methyl]-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H10FN3O2/c15-12-3-1-10(2-4-12)9-17-14-6-5-13(18(19)20)7-11(14)8-16-17/h1-8H,9H2
InChIKeyXZTQOLZBKIYIQF-UHFFFAOYSA-N
XLogP3.13
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)methyl]-5-nitroindazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-nitroindazole (CID 53422151) is 1-[(4-fluorophenyl)methyl]-5-nitroindazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-nitroindazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-nitroindazole is O=[N+]([O-])c1ccc2c(cnn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-nitroindazole?
The InChIKey is XZTQOLZBKIYIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-3-1-10(2-4-12)9-17-14-6-5-13(18(19)20)7-11(14)8-16-17/h1-8H,9H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-nitroindazole?
1-[(4-fluorophenyl)methyl]-5-nitroindazole has a molecular weight of 271.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-nitroindazole is sourced from PubChem (CID 53422151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).