3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol

C15H10BrF2N3O — CID 136867814

IUPAC3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
SMILESCc1cc(/N=N/c2c(O)[nH]c3c(F)cc(F)cc23)ccc1Br
InChIInChI=1S/C15H10BrF2N3O/c1-7-4-9(2-3-11(7)16)20-21-14-10-5-8(17)6-12(18)13(10)19-15(14)22/h2-6,19,22H,1H3/b21-20+
InChIKeyZYIHFMSUNASVCK-QZQOTICOSA-N
MW366.17 g/mol
LogP5.64
Rot. Bonds2

About 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol

3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol (PubChem CID 136867814) has the molecular formula C15H10BrF2N3O and a molecular weight of 366.17 g/mol. Its IUPAC name is 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
PubChem CID136867814
Molecular FormulaC15H10BrF2N3O
Molecular Weight366.17 g/mol
Exact Mass365.00
IUPAC Name3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
SMILESCc1cc(/N=N/c2c(O)[nH]c3c(F)cc(F)cc23)ccc1Br
InChIInChI=1S/C15H10BrF2N3O/c1-7-4-9(2-3-11(7)16)20-21-14-10-5-8(17)6-12(18)13(10)19-15(14)22/h2-6,19,22H,1H3/b21-20+
InChIKeyZYIHFMSUNASVCK-QZQOTICOSA-N
XLogP5.64
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.17
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dichlorophenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol
CID 136867812
3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1-(thietan-3-yl)indol-2-ol
CID 136867785
3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol
CID 136867923
N-[(5,7-difluoro-2-hydroxy-1H-indol-3-yl)imino]-2-methylpropanamide
CID 136867834
5-bromo-7-methyl-3-phenyldiazenyl-1H-indol-2-ol
CID 5057935
3-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-N-[(7-fluoro-2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 166205930
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 135730473
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol
CID 136867871
3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867574

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol?
The IUPAC name of 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol (CID 136867814) is 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol?
The canonical SMILES for 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol is Cc1cc(/N=N/c2c(O)[nH]c3c(F)cc(F)cc23)ccc1Br.
What is the InChIKey of 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol?
The InChIKey is ZYIHFMSUNASVCK-QZQOTICOSA-N. The full InChI is InChI=1S/C15H10BrF2N3O/c1-7-4-9(2-3-11(7)16)20-21-14-10-5-8(17)6-12(18)13(10)19-15(14)22/h2-6,19,22H,1H3/b21-20+.
What are the key properties of 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol?
3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol has a molecular weight of 366.17 g/mol, XLogP of 5.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methylphenyl)diazenyl]-5,7-difluoro-1H-indol-2-ol is sourced from PubChem (CID 136867814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).