6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole

C16H11Br2N3O — CID 158277689

IUPAC6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole
SMILESBrc1ccc2cc[nH]c2c1.O=Cc1[nH]nc2cc(Br)ccc12
InChIInChI=1S/C8H5BrN2O.C8H6BrN/c9-5-1-2-6-7(3-5)10-11-8(6)4-12;9-7-2-1-6-3-4-10-8(6)5-7/h1-4H,(H,10,11);1-5,10H
InChIKeyGJUUFRZHZJALCQ-UHFFFAOYSA-N
MW421.09 g/mol
LogP5.07
Rot. Bonds1

About 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole

6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole (PubChem CID 158277689) has the molecular formula C16H11Br2N3O and a molecular weight of 421.09 g/mol. Its IUPAC name is 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole.

Molecular Properties

Compound Name6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole
PubChem CID158277689
Molecular FormulaC16H11Br2N3O
Molecular Weight421.09 g/mol
Exact Mass418.93
IUPAC Name6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole
SMILESBrc1ccc2cc[nH]c2c1.O=Cc1[nH]nc2cc(Br)ccc12
InChIInChI=1S/C8H5BrN2O.C8H6BrN/c9-5-1-2-6-7(3-5)10-11-8(6)4-12;9-7-2-1-6-3-4-10-8(6)5-7/h1-4H,(H,10,11);1-5,10H
InChIKeyGJUUFRZHZJALCQ-UHFFFAOYSA-N
XLogP5.07
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.09
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole 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

4-Bromo-benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135458690
(E)-N'-((1H-indol-3-yl)methylene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135521460
6-bromo-N-(6-bromo-1H-indole-3-carbonyl)-1H-indole-3-carboxamide
CID 127048052
N-[2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 2473567
(E)-3-(6-bromo-1H-indol-3-yl)-1-(1H-indol-2-yl)prop-2-en-1-one
CID 118449877
(E)-3-(6-bromo-1H-indol-3-yl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 134141204
N-[(E)-(6-bromo-1H-indol-3-yl)methylideneamino]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 145957639
3-(1H-indol-3-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135841674
3-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbaldehyde
CID 156901809
3-[[4-[2-(6-bromo-5-fluoro-1H-indazol-3-yl)-2-oxoethyl]pyrazol-1-yl]methyl]benzonitrile
CID 159020516
6-bromo-N-(5-fluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 170653120
6-bromo-N-(5,6-difluoro-1H-indol-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 170653128

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole?
The IUPAC name of 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole (CID 158277689) is 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole.
What is the SMILES notation for 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole?
The canonical SMILES for 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole is Brc1ccc2cc[nH]c2c1.O=Cc1[nH]nc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole?
The InChIKey is GJUUFRZHZJALCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O.C8H6BrN/c9-5-1-2-6-7(3-5)10-11-8(6)4-12;9-7-2-1-6-3-4-10-8(6)5-7/h1-4H,(H,10,11);1-5,10H.
What are the key properties of 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole?
6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole has a molecular weight of 421.09 g/mol, XLogP of 5.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2H-indazole-3-carbaldehyde;6-bromo-1H-indole is sourced from PubChem (CID 158277689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).