5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol

C15H10Br2N2O — CID 137006340

IUPAC5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/C=N/c1ccccc1Br
InChIInChI=1S/C15H10Br2N2O/c16-9-5-6-13-10(7-9)11(15(20)19-13)8-18-14-4-2-1-3-12(14)17/h1-8,19-20H/b18-8+
InChIKeyHYYYFAZWTVXWDB-QGMBQPNBSA-N
MW394.07 g/mol
LogP5.15
Rot. Bonds2

About 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol

5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 137006340) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol
PubChem CID137006340
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/C=N/c1ccccc1Br
InChIInChI=1S/C15H10Br2N2O/c16-9-5-6-13-10(7-9)11(15(20)19-13)8-18-14-4-2-1-3-12(14)17/h1-8,19-20H/b18-8+
InChIKeyHYYYFAZWTVXWDB-QGMBQPNBSA-N
XLogP5.15
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.07
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006298
3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 4195029
5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006304
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006199
5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol
CID 137006261
3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 136996138
ethyl 4-[(5-bromo-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 137006345
methyl 2-[(5-chloro-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 136996242
6-methyl-3-[(2-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996645
3-[(E)-(4-bromo-1H-pyrazol-5-yl)iminomethyl]-1H-indol-2-ol
CID 135697873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol (CID 137006340) is 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccc(Br)cc2c1/C=N/c1ccccc1Br.
What is the InChIKey of 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is HYYYFAZWTVXWDB-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-9-5-6-13-10(7-9)11(15(20)19-13)8-18-14-4-2-1-3-12(14)17/h1-8,19-20H/b18-8+.
What are the key properties of 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol?
5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 394.07 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 137006340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).