CAS 5430-79-5 Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate (HCID 224708)

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Basic information

CAS: 5430-79-5
Standard SMILES: CCOC(=O)c1c(C)[nH]c(I)c1C
InChIKey: JDALSIJMOYCBTO-UHFFFAOYSA-N
Molecular formula: C9H12INO2
Average molar mass: 293.1 g/mol
Monoisotopic mass: 292.99128

Names & identifiers

Preferred name: Ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate
IUPAC: ethyl 5-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylate

Names & synonyms

ethyl 5-iodo-2,4-dimethyl-1h-pyrrole-3-carboxylate5430-79-5DTXSID60279619RefChem:344381DTXCID90230773NSC13423SCHEMBL3515050JDALSIJMOYCBTO-UHFFFAOYSA-NNSC 13423NSC-13423DA-42135AB00079676-01

Show more names

SR-01000203725SR-01000203725-15-iodo-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Database identifiers

CAS: 5430-79-5
PubChem CID: 224708
DTXSID: DTXSID60279619

Properties

Computed structural propertiesFilling in

XLogP: 2.4
Topological polar surface area: 42.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 198

Related reactions

4 records

New reaction record

HRID 313465As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 384302As productuspto-grants-2013_02

HRID 384303As reactantuspto-grants-2013_02

HRID 2125972As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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