methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate

C13H12FNO3 — CID 56704068

IUPACmethyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2cc(OC)ccc2F)c[nH]1
InChIInChI=1S/C13H12FNO3/c1-17-9-3-4-11(14)10(6-9)8-5-12(15-7-8)13(16)18-2/h3-7,15H,1-2H3
InChIKeyAWZPWDISKZVFIM-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.62
Rot. Bonds3

About methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate

methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate (PubChem CID 56704068) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate
PubChem CID56704068
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Namemethyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2cc(OC)ccc2F)c[nH]1
InChIInChI=1S/C13H12FNO3/c1-17-9-3-4-11(14)10(6-9)8-5-12(15-7-8)13(16)18-2/h3-7,15H,1-2H3
InChIKeyAWZPWDISKZVFIM-UHFFFAOYSA-N
XLogP2.62
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate (CID 56704068) is methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate is COC(=O)c1cc(-c2cc(OC)ccc2F)c[nH]1.
What is the InChIKey of methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate?
The InChIKey is AWZPWDISKZVFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-17-9-3-4-11(14)10(6-9)8-5-12(15-7-8)13(16)18-2/h3-7,15H,1-2H3.
What are the key properties of methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate?
methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate has a molecular weight of 249.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoro-5-methoxyphenyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 56704068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).