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

C15H10BrClN2O — CID 136996228

IUPAC3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Cl)cc2c1/C=N/c1ccc(Br)cc1
InChIInChI=1S/C15H10BrClN2O/c16-9-1-4-11(5-2-9)18-8-13-12-7-10(17)3-6-14(12)19-15(13)20/h1-8,19-20H/b18-8+
InChIKeyCKNZPKDFYZTFQV-QGMBQPNBSA-N
MW349.62 g/mol
LogP5.04
Rot. Bonds2

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

3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol (PubChem CID 136996228) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol
PubChem CID136996228
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Cl)cc2c1/C=N/c1ccc(Br)cc1
InChIInChI=1S/C15H10BrClN2O/c16-9-1-4-11(5-2-9)18-8-13-12-7-10(17)3-6-14(12)19-15(13)20/h1-8,19-20H/b18-8+
InChIKeyCKNZPKDFYZTFQV-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'}

Analyze 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(anilinomethylidene)-1H-indol-2-one
CID 417125
5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
CID 135988925
5-chloro-3-[(E)-[3-[(E)-2-pyridin-4-ylethenyl]indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135988961
2H-Indol-2-one, 1,3-dihydro-3-(((2-phenylethyl)amino)methylene)-, (E)-
CID 2859755
(3Z)-3-{[(4-chlorobenzyl)amino]methylene}-1,3-dihydro-2H-indol-2-one
CID 2256113
3-[benzimidazol-2-ylidene(phenyl)methyl]-5-bromo-1H-indol-2-ol
CID 136118718
2-bromo-6-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;hydrochloride
CID 168286639
5-bromo-2-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;hydrochloride
CID 168291129
4-bromo-2-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol;hydrochloride
CID 168294310
6-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
CID 135988956
3-[benzimidazol-2-ylidene(phenyl)methyl]-6-bromo-1H-indol-2-ol
CID 136118719
3-[(4-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 2256125

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol?
The IUPAC name of 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol (CID 136996228) is 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol?
The canonical SMILES for 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol is Oc1[nH]c2ccc(Cl)cc2c1/C=N/c1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol?
The InChIKey is CKNZPKDFYZTFQV-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-9-1-4-11(5-2-9)18-8-13-12-7-10(17)3-6-14(12)19-15(13)20/h1-8,19-20H/b18-8+.
What are the key properties of 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol?
3-[(4-bromophenyl)iminomethyl]-5-chloro-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 3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol is sourced from PubChem (CID 136996228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).