5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde

C11H10BrNO3 — CID 163323842

IUPAC5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde
SMILESCOc1cc(Br)c(OC)c2c(C=O)c[nH]c12
InChIInChI=1S/C11H10BrNO3/c1-15-8-3-7(12)11(16-2)9-6(5-14)4-13-10(8)9/h3-5,13H,1-2H3
InChIKeyMGMCEWHTVRMCTG-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.76
Rot. Bonds3

About 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde

5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde (PubChem CID 163323842) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde
PubChem CID163323842
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde
SMILESCOc1cc(Br)c(OC)c2c(C=O)c[nH]c12
InChIInChI=1S/C11H10BrNO3/c1-15-8-3-7(12)11(16-2)9-6(5-14)4-13-10(8)9/h3-5,13H,1-2H3
InChIKeyMGMCEWHTVRMCTG-UHFFFAOYSA-N
XLogP2.76
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-2,4-dimethoxybenzaldehyde
CID 42626303
3,5-dibromo-2-methoxybenzaldehyde
CID 1494335
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
6-bromo-7-iodo-1H-indole-3-carbaldehyde
CID 14059147
2-bromo-1,4,5,7,8-pentamethoxynaphthalene
CID 139206863
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 46856450
3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759442
6-bromo-7-hydroxy-1H-indole-3-carbaldehyde
CID 123695030
5-bromo-7-methyl-1H-indole-3-carbaldehyde
CID 21102199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde?
The IUPAC name of 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde (CID 163323842) is 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde is COc1cc(Br)c(OC)c2c(C=O)c[nH]c12.
What is the InChIKey of 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde?
The InChIKey is MGMCEWHTVRMCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-15-8-3-7(12)11(16-2)9-6(5-14)4-13-10(8)9/h3-5,13H,1-2H3.
What are the key properties of 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde?
5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde has a molecular weight of 284.11 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 163323842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).