4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole

C7H2BrFIN3O2 — CID 164520281

IUPAC4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole
SMILESO=[N+]([O-])c1c(F)c(I)c(Br)c2cn[nH]c12
InChIInChI=1S/C7H2BrFIN3O2/c8-3-2-1-11-12-6(2)7(13(14)15)4(9)5(3)10/h1H,(H,11,12)
InChIKeyLOJBEEQUBKTXDG-UHFFFAOYSA-N
MW385.92 g/mol
LogP2.98
Rot. Bonds1

About 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole

4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole (PubChem CID 164520281) has the molecular formula C7H2BrFIN3O2 and a molecular weight of 385.92 g/mol. Its IUPAC name is 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole.

Molecular Properties

Compound Name4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole
PubChem CID164520281
Molecular FormulaC7H2BrFIN3O2
Molecular Weight385.92 g/mol
Exact Mass384.84
IUPAC Name4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole
SMILESO=[N+]([O-])c1c(F)c(I)c(Br)c2cn[nH]c12
InChIInChI=1S/C7H2BrFIN3O2/c8-3-2-1-11-12-6(2)7(13(14)15)4(9)5(3)10/h1H,(H,11,12)
InChIKeyLOJBEEQUBKTXDG-UHFFFAOYSA-N
XLogP2.98
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068179
1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
CID 23234800
6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine
CID 130110786
4-bromo-5-nitro-1H-pyrazole
CID 606370
2-(bromomethyl)-5-(difluoromethyl)-4-iodo-3-nitropyridine
CID 130086547
4-bromo-6-fluoro-N,N-dimethyl-5-methylsulfanyl-1H-indazol-7-amine
CID 163220447
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
2,4-dibromo-1,5-difluoro-3-nitrobenzene
CID 56973647
2-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842
5-bromo-6-chloro-7-nitro-1H-indazol-3-amine
CID 22319652
4-fluoro-5-iodo-3-nitropyridin-2-amine
CID 135394926
4-bromo-5,7-dimethyl-1H-indazole
CID 70630386

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole?
The IUPAC name of 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole (CID 164520281) is 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole.
What is the SMILES notation for 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole?
The canonical SMILES for 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole is O=[N+]([O-])c1c(F)c(I)c(Br)c2cn[nH]c12.
What is the InChIKey of 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole?
The InChIKey is LOJBEEQUBKTXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrFIN3O2/c8-3-2-1-11-12-6(2)7(13(14)15)4(9)5(3)10/h1H,(H,11,12).
What are the key properties of 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole?
4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole has a molecular weight of 385.92 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-5-iodo-7-nitro-1H-indazole is sourced from PubChem (CID 164520281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).