6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole

C14H10FN3O2 — CID 174883360

IUPAC6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole
SMILESO=[N+]([O-])c1cc(Cc2ccc(F)cc2)cc2[nH]ncc12
InChIInChI=1S/C14H10FN3O2/c15-11-3-1-9(2-4-11)5-10-6-13-12(8-16-17-13)14(7-10)18(19)20/h1-4,6-8H,5H2,(H,16,17)
InChIKeySUOOIQJBVPFFRK-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.20
Rot. Bonds3

About 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole

6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole (PubChem CID 174883360) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole
PubChem CID174883360
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole
SMILESO=[N+]([O-])c1cc(Cc2ccc(F)cc2)cc2[nH]ncc12
InChIInChI=1S/C14H10FN3O2/c15-11-3-1-9(2-4-11)5-10-6-13-12(8-16-17-13)14(7-10)18(19)20/h1-4,6-8H,5H2,(H,16,17)
InChIKeySUOOIQJBVPFFRK-UHFFFAOYSA-N
XLogP3.20
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole (CID 174883360) is 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole is O=[N+]([O-])c1cc(Cc2ccc(F)cc2)cc2[nH]ncc12.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole?
The InChIKey is SUOOIQJBVPFFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-3-1-9(2-4-11)5-10-6-13-12(8-16-17-13)14(7-10)18(19)20/h1-4,6-8H,5H2,(H,16,17).
What are the key properties of 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole?
6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole has a molecular weight of 271.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-4-nitro-1H-indazole is sourced from PubChem (CID 174883360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).