4,6-difluoro-3-methyl-7-nitro-2H-indazole

C8H5F2N3O2 — CID 44614251

IUPAC4,6-difluoro-3-methyl-7-nitro-2H-indazole
SMILESCc1[nH]nc2c([N+](=O)[O-])c(F)cc(F)c12
InChIInChI=1S/C8H5F2N3O2/c1-3-6-4(9)2-5(10)8(13(14)15)7(6)12-11-3/h2H,1H3,(H,11,12)
InChIKeyBLKCJIPDLVLKGG-UHFFFAOYSA-N
MW213.14 g/mol
LogP2.06
Rot. Bonds1

About 4,6-difluoro-3-methyl-7-nitro-2H-indazole

4,6-difluoro-3-methyl-7-nitro-2H-indazole (PubChem CID 44614251) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 4,6-difluoro-3-methyl-7-nitro-2H-indazole.

Molecular Properties

Compound Name4,6-difluoro-3-methyl-7-nitro-2H-indazole
PubChem CID44614251
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name4,6-difluoro-3-methyl-7-nitro-2H-indazole
SMILESCc1[nH]nc2c([N+](=O)[O-])c(F)cc(F)c12
InChIInChI=1S/C8H5F2N3O2/c1-3-6-4(9)2-5(10)8(13(14)15)7(6)12-11-3/h2H,1H3,(H,11,12)
InChIKeyBLKCJIPDLVLKGG-UHFFFAOYSA-N
XLogP2.06
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 52.06
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 4,6-difluoro-3-methyl-7-nitro-2H-indazole?
The IUPAC name of 4,6-difluoro-3-methyl-7-nitro-2H-indazole (CID 44614251) is 4,6-difluoro-3-methyl-7-nitro-2H-indazole.
What is the SMILES notation for 4,6-difluoro-3-methyl-7-nitro-2H-indazole?
The canonical SMILES for 4,6-difluoro-3-methyl-7-nitro-2H-indazole is Cc1[nH]nc2c([N+](=O)[O-])c(F)cc(F)c12.
What is the InChIKey of 4,6-difluoro-3-methyl-7-nitro-2H-indazole?
The InChIKey is BLKCJIPDLVLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c1-3-6-4(9)2-5(10)8(13(14)15)7(6)12-11-3/h2H,1H3,(H,11,12).
What are the key properties of 4,6-difluoro-3-methyl-7-nitro-2H-indazole?
4,6-difluoro-3-methyl-7-nitro-2H-indazole has a molecular weight of 213.14 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-methyl-7-nitro-2H-indazole is sourced from PubChem (CID 44614251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).