1-(difluoromethyl)-5-nitroindazole

C8H5F2N3O2 — CID 2110879

IUPAC1-(difluoromethyl)-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2c(cnn2C(F)F)c1
InChIInChI=1S/C8H5F2N3O2/c9-8(10)12-7-2-1-6(13(14)15)3-5(7)4-11-12/h1-4,8H
InChIKeyYZLRVSNATZSDLY-UHFFFAOYSA-N
MW213.14 g/mol
LogP2.34
Rot. Bonds2

About 1-(difluoromethyl)-5-nitroindazole

1-(difluoromethyl)-5-nitroindazole (PubChem CID 2110879) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-nitroindazole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-nitroindazole
PubChem CID2110879
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name1-(difluoromethyl)-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2c(cnn2C(F)F)c1
InChIInChI=1S/C8H5F2N3O2/c9-8(10)12-7-2-1-6(13(14)15)3-5(7)4-11-12/h1-4,8H
InChIKeyYZLRVSNATZSDLY-UHFFFAOYSA-N
XLogP2.34
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 52.34
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-(difluoromethyl)-5-nitroindazole?
The IUPAC name of 1-(difluoromethyl)-5-nitroindazole (CID 2110879) is 1-(difluoromethyl)-5-nitroindazole.
What is the SMILES notation for 1-(difluoromethyl)-5-nitroindazole?
The canonical SMILES for 1-(difluoromethyl)-5-nitroindazole is O=[N+]([O-])c1ccc2c(cnn2C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-5-nitroindazole?
The InChIKey is YZLRVSNATZSDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c9-8(10)12-7-2-1-6(13(14)15)3-5(7)4-11-12/h1-4,8H.
What are the key properties of 1-(difluoromethyl)-5-nitroindazole?
1-(difluoromethyl)-5-nitroindazole has a molecular weight of 213.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-nitroindazole is sourced from PubChem (CID 2110879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).