5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol

C15H9BrClFN2O — CID 137006309

IUPAC5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/C=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H9BrClFN2O/c16-8-1-4-14-10(5-8)11(15(21)20-14)7-19-9-2-3-13(18)12(17)6-9/h1-7,20-21H/b19-7+
InChIKeyLZUVYHFJEJHNQV-FBCYGCLPSA-N
MW367.61 g/mol
LogP5.18
Rot. Bonds2

About 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol

5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 137006309) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol
PubChem CID137006309
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/C=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H9BrClFN2O/c16-8-1-4-14-10(5-8)11(15(21)20-14)7-19-9-2-3-13(18)12(17)6-9/h1-7,20-21H/b19-7+
InChIKeyLZUVYHFJEJHNQV-FBCYGCLPSA-N
XLogP5.18
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.61
LogP ≤ 55.18
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

3-(anilinomethylidene)-1H-indol-2-one
CID 417125
(3Z)-3-{[(4-chlorobenzyl)amino]methylene}-1,3-dihydro-2H-indol-2-one
CID 2256113
5-Bromo-3-[2-(4-fluorophenyl)hydrazinyl]indol-2-one
CID 3621325
(2E)-5-Bromo-4-chloro-2-({[(4-methylphenyl)methyl]amino}methylidene)-2,3-dihydro-1H-indol-3-one
CID 5060152
(2E)-5-bromo-4-chloro-2-{[(3-methylphenyl)amino]methylene}-1,2-dihydro-3H-indol-3-one
CID 135521583
3-[benzimidazol-2-ylidene(phenyl)methyl]-5-bromo-1H-indol-2-ol
CID 136118718
6-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
CID 135988956
5-Bromo-4-chloro-2-cyclohexylaminomethylene-1,2-dihydro-indol-3-one
CID 534541
5-bromo-4-chloro-2-[[(4-fluorophenyl)methylamino]methylidene]-1H-indol-3-one
CID 1358138
(2E)-5-bromo-4-chloro-2-{[(3-fluorophenyl)amino]methylidene}-1,2-dihydro-3H-indol-3-one
CID 1360969
(2E)-5-bromo-4-chloro-2-{[(3,5-dimethylphenyl)amino]methylene}-1,2-dihydro-3H-indol-3-one
CID 3632466
(2E)-5-Bromo-4-chloro-2-{[(4-fluorophenyl)amino]methylidene}-2,3-dihydro-1H-indol-3-one
CID 5098870

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol (CID 137006309) is 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccc(Br)cc2c1/C=N/c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is LZUVYHFJEJHNQV-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-8-1-4-14-10(5-8)11(15(21)20-14)7-19-9-2-3-13(18)12(17)6-9/h1-7,20-21H/b19-7+.
What are the key properties of 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol?
5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 367.61 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 137006309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).