6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine

C13H10BrFN4 — CID 107490964

IUPAC6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFN4/c14-9-4-8(1-2-10(9)15)18-13-5-12-7(3-11(13)16)6-17-19-12/h1-6,18H,16H2,(H,17,19)
InChIKeyOSDTVRHIIQGCHT-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.79
Rot. Bonds2

About 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine

6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine (PubChem CID 107490964) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine
PubChem CID107490964
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC Name6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFN4/c14-9-4-8(1-2-10(9)15)18-13-5-12-7(3-11(13)16)6-17-19-12/h1-6,18H,16H2,(H,17,19)
InChIKeyOSDTVRHIIQGCHT-UHFFFAOYSA-N
XLogP3.79
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3,4-difluorophenyl)-1H-indazol-5-amine
CID 155285119
5-bromo-N-(4-fluorophenyl)-1H-indazol-6-amine
CID 146486341
6-N-(2,5-dibromophenyl)-1H-indazole-5,6-diamine
CID 107489373
6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine
CID 107490761
6-N-[(5-bromo-2-fluorophenyl)methyl]-1H-indazole-5,6-diamine
CID 107489222
6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine
CID 107488738
6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
CID 107489116
5-bromo-6-fluoro-1H-indazole
CID 46863923
6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107491236
6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
CID 107490746
5-N-(3-bromo-4-fluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 104775598
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine (CID 107490964) is 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine is Nc1cc2cn[nH]c2cc1Nc1ccc(F)c(Br)c1.
What is the InChIKey of 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine?
The InChIKey is OSDTVRHIIQGCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c14-9-4-8(1-2-10(9)15)18-13-5-12-7(3-11(13)16)6-17-19-12/h1-6,18H,16H2,(H,17,19).
What are the key properties of 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine?
6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine has a molecular weight of 321.15 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).