5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde

C11H10FNO2 — CID 105459946

IUPAC5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde
SMILESCOc1cc2[nH]c(C=O)c(C)c2cc1F
InChIInChI=1S/C11H10FNO2/c1-6-7-3-8(12)11(15-2)4-9(7)13-10(6)5-14/h3-5,13H,1-2H3
InChIKeyJQNGZNMXMRAXFX-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.44
Rot. Bonds2

About 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde

5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde (PubChem CID 105459946) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde
PubChem CID105459946
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde
SMILESCOc1cc2[nH]c(C=O)c(C)c2cc1F
InChIInChI=1S/C11H10FNO2/c1-6-7-3-8(12)11(15-2)4-9(7)13-10(6)5-14/h3-5,13H,1-2H3
InChIKeyJQNGZNMXMRAXFX-UHFFFAOYSA-N
XLogP2.44
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde?
The IUPAC name of 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde (CID 105459946) is 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde is COc1cc2[nH]c(C=O)c(C)c2cc1F.
What is the InChIKey of 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde?
The InChIKey is JQNGZNMXMRAXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-6-7-3-8(12)11(15-2)4-9(7)13-10(6)5-14/h3-5,13H,1-2H3.
What are the key properties of 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde?
5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde has a molecular weight of 207.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-3-methyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 105459946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).