4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine

C7H4BrFIN3 — CID 164520251

IUPAC4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine
SMILESNc1c(F)c(I)c(Br)c2cn[nH]c12
InChIInChI=1S/C7H4BrFIN3/c8-3-2-1-12-13-7(2)6(11)4(9)5(3)10/h1H,11H2,(H,12,13)
InChIKeyTUBJVSJZSJCFTB-UHFFFAOYSA-N
MW355.94 g/mol
LogP2.65
Rot. Bonds

About 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine

4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine (PubChem CID 164520251) has the molecular formula C7H4BrFIN3 and a molecular weight of 355.94 g/mol. Its IUPAC name is 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine.

Molecular Properties

Compound Name4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine
PubChem CID164520251
Molecular FormulaC7H4BrFIN3
Molecular Weight355.94 g/mol
Exact Mass354.86
IUPAC Name4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine
SMILESNc1c(F)c(I)c(Br)c2cn[nH]c12
InChIInChI=1S/C7H4BrFIN3/c8-3-2-1-12-13-7(2)6(11)4(9)5(3)10/h1H,11H2,(H,12,13)
InChIKeyTUBJVSJZSJCFTB-UHFFFAOYSA-N
XLogP2.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.94
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-7-iodo-1H-indazole
CID 59024218
5-Bromo-1H-indazol-7-amine
CID 15896582
4-bromo-6-fluoro-1H-indazole
CID 24728745
5-Bromo-7-fluoro-1H-indazole
CID 66793110
6-bromo-7-fluoro-1H-indazole
CID 75487720
4-Bromo-7-fluoro-1H-indazole
CID 59177929
4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine
CID 59263744
4-Bromo-5-fluoro-1H-indazole
CID 59272979
5-Bromo-4,7-difluoro-1H-indazole
CID 89810833
5-bromo-6,7-difluoro-1H-indazole
CID 135339717
4-Bromo-7-fluoro-5-methyl-1H-indazole
CID 139508198
5-bromo-7-fluoro-6-iodo-1H-Indazole
CID 155285103

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine?
The IUPAC name of 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine (CID 164520251) is 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine.
What is the SMILES notation for 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine?
The canonical SMILES for 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine is Nc1c(F)c(I)c(Br)c2cn[nH]c12.
What is the InChIKey of 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine?
The InChIKey is TUBJVSJZSJCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFIN3/c8-3-2-1-12-13-7(2)6(11)4(9)5(3)10/h1H,11H2,(H,12,13).
What are the key properties of 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine?
4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine has a molecular weight of 355.94 g/mol, XLogP of 2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-5-iodo-1H-indazol-7-amine is sourced from PubChem (CID 164520251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).