methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate

C11H8FNO3 — CID 934513

IUPACmethyl 5-fluoro-3-formyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(F)cc2c1C=O
InChIInChI=1S/C11H8FNO3/c1-16-11(15)10-8(5-14)7-4-6(12)2-3-9(7)13-10/h2-5,13H,1H3
InChIKeyRFUMCHQBRAGPMS-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.91
Rot. Bonds2

About methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate

methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate (PubChem CID 934513) has the molecular formula C11H8FNO3 and a molecular weight of 221.19 g/mol. Its IUPAC name is methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-3-formyl-1H-indole-2-carboxylate
PubChem CID934513
Molecular FormulaC11H8FNO3
Molecular Weight221.19 g/mol
Exact Mass221.05
IUPAC Namemethyl 5-fluoro-3-formyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(F)cc2c1C=O
InChIInChI=1S/C11H8FNO3/c1-16-11(15)10-8(5-14)7-4-6(12)2-3-9(7)13-10/h2-5,13H,1H3
InChIKeyRFUMCHQBRAGPMS-UHFFFAOYSA-N
XLogP1.91
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate (CID 934513) is methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(F)cc2c1C=O.
What is the InChIKey of methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate?
The InChIKey is RFUMCHQBRAGPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3/c1-16-11(15)10-8(5-14)7-4-6(12)2-3-9(7)13-10/h2-5,13H,1H3.
What are the key properties of methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate?
methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate has a molecular weight of 221.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-3-formyl-1H-indole-2-carboxylate is sourced from PubChem (CID 934513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).