6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine

C14H12Br2N4O — CID 107491236

IUPAC6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
SMILESCOc1cc(Nc2cc3[nH]ncc3cc2N)c(Br)cc1Br
InChIInChI=1S/C14H12Br2N4O/c1-21-14-5-12(8(15)3-9(14)16)19-13-4-11-7(2-10(13)17)6-18-20-11/h2-6,19H,17H2,1H3,(H,18,20)
InChIKeyOCQPRKSRAVTOHD-UHFFFAOYSA-N
MW412.09 g/mol
LogP4.42
Rot. Bonds3

About 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine

6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine (PubChem CID 107491236) has the molecular formula C14H12Br2N4O and a molecular weight of 412.09 g/mol. Its IUPAC name is 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
PubChem CID107491236
Molecular FormulaC14H12Br2N4O
Molecular Weight412.09 g/mol
Exact Mass409.94
IUPAC Name6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
SMILESCOc1cc(Nc2cc3[nH]ncc3cc2N)c(Br)cc1Br
InChIInChI=1S/C14H12Br2N4O/c1-21-14-5-12(8(15)3-9(14)16)19-13-4-11-7(2-10(13)17)6-18-20-11/h2-6,19H,17H2,1H3,(H,18,20)
InChIKeyOCQPRKSRAVTOHD-UHFFFAOYSA-N
XLogP4.42
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.09
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2,5-dibromophenyl)-1H-indazole-5,6-diamine
CID 107489373
6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
CID 107489116
4-bromo-2-N-(2,4-dibromo-5-methoxyphenyl)-5-fluorobenzene-1,2-diamine
CID 103410813
6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107489707
6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
CID 107490746
6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine
CID 107490964
6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine
CID 107488738
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
5-bromo-N-(4-fluorophenyl)-1H-indazol-6-amine
CID 146486341
2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
CID 103410626
6-methoxy-N-methyl-1H-indazol-5-amine
CID 153364692
4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 103417170

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine (CID 107491236) is 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine is COc1cc(Nc2cc3[nH]ncc3cc2N)c(Br)cc1Br.
What is the InChIKey of 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine?
The InChIKey is OCQPRKSRAVTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N4O/c1-21-14-5-12(8(15)3-9(14)16)19-13-4-11-7(2-10(13)17)6-18-20-11/h2-6,19H,17H2,1H3,(H,18,20).
What are the key properties of 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine?
6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine has a molecular weight of 412.09 g/mol, XLogP of 4.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107491236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).