methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate

C13H10FNO3 — CID 171483297

IUPACmethyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1C(=O)c1ccccc1F
InChIInChI=1S/C13H10FNO3/c1-18-13(17)11-7-4-8-15(11)12(16)9-5-2-3-6-10(9)14/h2-8H,1H3
InChIKeyUYDUTAHDXOEUTL-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.10
Rot. Bonds2

About methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate

methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate (PubChem CID 171483297) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate
PubChem CID171483297
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Namemethyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1C(=O)c1ccccc1F
InChIInChI=1S/C13H10FNO3/c1-18-13(17)11-7-4-8-15(11)12(16)9-5-2-3-6-10(9)14/h2-8H,1H3
InChIKeyUYDUTAHDXOEUTL-UHFFFAOYSA-N
XLogP2.10
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methylbenzoyl)pyrrole-2-carboxylate
CID 171483270
methyl 4-(2-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798338
methyl 5-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]thiophene-2-carboxylate
CID 78850342
methyl 1-(2-cyanoacetyl)pyrrole-2-carboxylate
CID 141168327
1-(2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228026
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 4-[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate
CID 55691812
methyl 2-(2-fluorophenyl)pyrrole-1-carboxylate
CID 123133682
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
dimethyl 5-(2-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 2462733

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate (CID 171483297) is methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate is COC(=O)c1cccn1C(=O)c1ccccc1F.
What is the InChIKey of methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate?
The InChIKey is UYDUTAHDXOEUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-18-13(17)11-7-4-8-15(11)12(16)9-5-2-3-6-10(9)14/h2-8H,1H3.
What are the key properties of methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate?
methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate has a molecular weight of 247.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 171483297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).