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

C15H10BrClN2O — CID 137006304

IUPAC5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O/c16-9-1-6-14-12(7-9)13(15(20)19-14)8-18-11-4-2-10(17)3-5-11/h1-8,19-20H/b18-8+
InChIKeyMEVLTFCWBSQUFB-QGMBQPNBSA-N
MW349.62 g/mol
LogP5.04
Rot. Bonds2

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

5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 137006304) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
PubChem CID137006304
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O/c16-9-1-6-14-12(7-9)13(15(20)19-14)8-18-11-4-2-10(17)3-5-11/h1-8,19-20H/b18-8+
InChIKeyMEVLTFCWBSQUFB-QGMBQPNBSA-N
XLogP5.04
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.04
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-chloro-3-[[4-(hydroxymethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482145
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
ethyl 4-[(5-bromo-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 137006345
5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol
CID 137006340
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392
5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006298
5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135433555
5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996251
6-bromo-3-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135484624
6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135481875
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 4195029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol (CID 137006304) is 5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccc(Br)cc2c1/C=N/c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is MEVLTFCWBSQUFB-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-9-1-6-14-12(7-9)13(15(20)19-14)8-18-11-4-2-10(17)3-5-11/h1-8,19-20H/b18-8+.
What are the key properties of 5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol?
5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 349.62 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 137006304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).