2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde

C11H9BrFNO3 — CID 58004725

IUPAC2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde
SMILESCOc1cc2c(C=O)c(Br)[nH]c2c(OC)c1F
InChIInChI=1S/C11H9BrFNO3/c1-16-7-3-5-6(4-15)11(12)14-9(5)10(17-2)8(7)13/h3-4,14H,1-2H3
InChIKeyUHKZOZGEEMVPPM-UHFFFAOYSA-N
MW302.10 g/mol
LogP2.90
Rot. Bonds3

About 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde

2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde (PubChem CID 58004725) has the molecular formula C11H9BrFNO3 and a molecular weight of 302.10 g/mol. Its IUPAC name is 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde
PubChem CID58004725
Molecular FormulaC11H9BrFNO3
Molecular Weight302.10 g/mol
Exact Mass300.97
IUPAC Name2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde
SMILESCOc1cc2c(C=O)c(Br)[nH]c2c(OC)c1F
InChIInChI=1S/C11H9BrFNO3/c1-16-7-3-5-6(4-15)11(12)14-9(5)10(17-2)8(7)13/h3-4,14H,1-2H3
InChIKeyUHKZOZGEEMVPPM-UHFFFAOYSA-N
XLogP2.90
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.10
LogP ≤ 52.90
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

2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
CID 135333306
2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
CID 91620939
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
4,6-dimethoxy-1H-indole-2,7-dicarbaldehyde
CID 132915513
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
CID 84710945
3-bromo-2-fluoro-6-hydroxy-4-methoxybenzaldehyde
CID 84706801
2-bromo-3,4,6-trifluoro-5-methoxybenzaldehyde
CID 174784326
2,3,4-trifluoro-6-methoxybenzaldehyde
CID 105443995
2-fluoro-3-methoxynaphthalene-1-carbaldehyde
CID 142595682
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde?
The IUPAC name of 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde (CID 58004725) is 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde is COc1cc2c(C=O)c(Br)[nH]c2c(OC)c1F.
What is the InChIKey of 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde?
The InChIKey is UHKZOZGEEMVPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO3/c1-16-7-3-5-6(4-15)11(12)14-9(5)10(17-2)8(7)13/h3-4,14H,1-2H3.
What are the key properties of 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde?
2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde has a molecular weight of 302.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde is sourced from PubChem (CID 58004725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).