methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate

C10H8INO3 — CID 15906342

IUPACmethyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(I)c(-c2ccco2)[nH]1
InChIInChI=1S/C10H8INO3/c1-14-10(13)7-5-6(11)9(12-7)8-3-2-4-15-8/h2-5,12H,1H3
InChIKeyRUCOUKKZPOPBQV-UHFFFAOYSA-N
MW317.08 g/mol
LogP2.67
Rot. Bonds2

About methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate

methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate (PubChem CID 15906342) has the molecular formula C10H8INO3 and a molecular weight of 317.08 g/mol. Its IUPAC name is methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate
PubChem CID15906342
Molecular FormulaC10H8INO3
Molecular Weight317.08 g/mol
Exact Mass316.95
IUPAC Namemethyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(I)c(-c2ccco2)[nH]1
InChIInChI=1S/C10H8INO3/c1-14-10(13)7-5-6(11)9(12-7)8-3-2-4-15-8/h2-5,12H,1H3
InChIKeyRUCOUKKZPOPBQV-UHFFFAOYSA-N
XLogP2.67
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.08
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate (CID 15906342) is methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate is COC(=O)c1cc(I)c(-c2ccco2)[nH]1.
What is the InChIKey of methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate?
The InChIKey is RUCOUKKZPOPBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO3/c1-14-10(13)7-5-6(11)9(12-7)8-3-2-4-15-8/h2-5,12H,1H3.
What are the key properties of methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate?
methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate has a molecular weight of 317.08 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(furan-2-yl)-4-iodo-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 15906342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).