5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol

C15H12BrN3O — CID 137006261

IUPAC5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/C=N/Cc1ccncc1
InChIInChI=1S/C15H12BrN3O/c16-11-1-2-14-12(7-11)13(15(20)19-14)9-18-8-10-3-5-17-6-4-10/h1-7,9,19-20H,8H2/b18-9+
InChIKeyPYGNHZBAOOHWKZ-GIJQJNRQSA-N
MW330.19 g/mol
LogP3.65
Rot. Bonds3

About 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol

5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol (PubChem CID 137006261) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol
PubChem CID137006261
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Br)cc2c1/C=N/Cc1ccncc1
InChIInChI=1S/C15H12BrN3O/c16-11-1-2-14-12(7-11)13(15(20)19-14)9-18-8-10-3-5-17-6-4-10/h1-7,9,19-20H,8H2/b18-9+
InChIKeyPYGNHZBAOOHWKZ-GIJQJNRQSA-N
XLogP3.65
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135484624
5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006304
5-bromo-3-[(2-bromophenyl)iminomethyl]-1H-indol-2-ol
CID 137006340
6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136996612
5-bromo-3-[(2-tert-butylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006298
ethyl 4-[(5-bromo-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 137006345
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanimine
CID 11321538
5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
CID 136996443
6-bromo-3-hydroxy-4-[[3-hydroxy-4-(2-methoxyethoxy)phenyl]methyliminomethyl]-2H-isoquinolin-1-one
CID 135875612
ethyl 4-[(5-bromo-2-hydroxy-1H-indol-3-yl)methylideneamino]piperidine-1-carboxylate
CID 137006272
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol (CID 137006261) is 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol is Oc1[nH]c2ccc(Br)cc2c1/C=N/Cc1ccncc1.
What is the InChIKey of 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol?
The InChIKey is PYGNHZBAOOHWKZ-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-11-1-2-14-12(7-11)13(15(20)19-14)9-18-8-10-3-5-17-6-4-10/h1-7,9,19-20H,8H2/b18-9+.
What are the key properties of 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol?
5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol has a molecular weight of 330.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(pyridin-4-ylmethyliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 137006261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).