2-[(3-fluorophenyl)methyl]-5-nitroindazole

C14H10FN3O2 — CID 21049421

IUPAC2-[(3-fluorophenyl)methyl]-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2nn(Cc3cccc(F)c3)cc2c1
InChIInChI=1S/C14H10FN3O2/c15-12-3-1-2-10(6-12)8-17-9-11-7-13(18(19)20)4-5-14(11)16-17/h1-7,9H,8H2
InChIKeyVKTLNNHESRZDEY-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.13
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-5-nitroindazole

2-[(3-fluorophenyl)methyl]-5-nitroindazole (PubChem CID 21049421) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-nitroindazole.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-nitroindazole
PubChem CID21049421
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-[(3-fluorophenyl)methyl]-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2nn(Cc3cccc(F)c3)cc2c1
InChIInChI=1S/C14H10FN3O2/c15-12-3-1-2-10(6-12)8-17-9-11-7-13(18(19)20)4-5-14(11)16-17/h1-7,9H,8H2
InChIKeyVKTLNNHESRZDEY-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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Related Compounds

2-methyl-7-nitro-2H-indazole
CID 159668
1-benzyl-1H-indazole
CID 797066
2-Methyl-5-nitro-2H-indazole
CID 97550
2-Methyl-6-nitro-2H-indazole
CID 81289
1H-Indazole, 1-methyl-6-nitro-
CID 81290
6-Nitro-2-phenyl-2H-indazole
CID 555231
1-methyl-1H-indazol-5-amine
CID 2768032
1-Phenyl-1H-indazole
CID 304268
2-(4-Methylphenyl)-6-nitro-2H-indazole
CID 620060
1-(2-methylphenyl)-4,6-dinitro-1H-indazole
CID 3932660
6-nitro-2-(3-nitrophenyl)-2H-indazole
CID 4413334
1-methyl-5-nitro-3-phenyl-1H-indazole
CID 2986335

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-nitroindazole?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-nitroindazole (CID 21049421) is 2-[(3-fluorophenyl)methyl]-5-nitroindazole.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-nitroindazole?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-nitroindazole is O=[N+]([O-])c1ccc2nn(Cc3cccc(F)c3)cc2c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-nitroindazole?
The InChIKey is VKTLNNHESRZDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-3-1-2-10(6-12)8-17-9-11-7-13(18(19)20)4-5-14(11)16-17/h1-7,9H,8H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-nitroindazole?
2-[(3-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 2-[(3-fluorophenyl)methyl]-5-nitroindazole is sourced from PubChem (CID 21049421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).