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

Name: Methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₀FNO₃ — CID 171483297

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate
PubChem CID	171483297
Molecular Formula	C₁₃H₁₀FNO₃
Molecular Weight	247.23 g/mol
Exact Mass	247.06
IUPAC Name	methyl 1-(2-fluorobenzoyl)pyrrole-2-carboxylate
SMILES	COC(=O)c1cccn1C(=O)c1ccccc1F
InChI	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
InChIKey	UYDUTAHDXOEUTL-UHFFFAOYSA-N
XLogP	2.10
TPSA	48.30 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.23
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 171483297 — identifiers, structure, computed properties (public domain)

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