ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate

C12H10FNO3 — CID 4580008

IUPACethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(F)cccc2c1C=O
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)11-8(6-15)7-4-3-5-9(13)10(7)14-11/h3-6,14H,2H2,1H3
InChIKeyPZQPFCNAGYEMJP-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.30
Rot. Bonds3

About ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate

ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate (PubChem CID 4580008) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate
PubChem CID4580008
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Nameethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(F)cccc2c1C=O
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)11-8(6-15)7-4-3-5-9(13)10(7)14-11/h3-6,14H,2H2,1H3
InChIKeyPZQPFCNAGYEMJP-UHFFFAOYSA-N
XLogP2.30
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.30
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

ethyl 5,7-difluoro-3-formyl-1H-indole-2-carboxylate
CID 4587029
ethyl 3-formyl-4-methoxy-5,7-dimethyl-1H-indole-2-carboxylate
CID 4023028
ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
ethyl 5-bromo-7-chloro-3-formyl-1H-indole-2-carboxylate
CID 5133000
ethyl 6-bromo-3-formyl-1H-indole-2-carboxylate
CID 4286839
3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
CID 96788078
ethyl 6-bromo-4-fluoro-3-formyl-1H-indole-2-carboxylate
CID 3366220
2-tert-butyl-7-fluoro-1H-indole-3-carbaldehyde
CID 5131331
ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
CID 54706936
ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
CID 10660135
ethyl 5-(dimethylamino)-3-formyl-1H-indole-2-carboxylate
CID 82214174

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate (CID 4580008) is ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2c(F)cccc2c1C=O.
What is the InChIKey of ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate?
The InChIKey is PZQPFCNAGYEMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-2-17-12(16)11-8(6-15)7-4-3-5-9(13)10(7)14-11/h3-6,14H,2H2,1H3.
What are the key properties of ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate?
ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate has a molecular weight of 235.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate is sourced from PubChem (CID 4580008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).