(2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate

C11H8FNO4 — CID 91017175

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate
SMILESO=C(On1c(O)ccc1O)c1cccc(F)c1
InChIInChI=1S/C11H8FNO4/c12-8-3-1-2-7(6-8)11(16)17-13-9(14)4-5-10(13)15/h1-6,14-15H
InChIKeyBCITVPXGORAEBS-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.31
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate

(2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate (PubChem CID 91017175) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate
PubChem CID91017175
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate
SMILESO=C(On1c(O)ccc1O)c1cccc(F)c1
InChIInChI=1S/C11H8FNO4/c12-8-3-1-2-7(6-8)11(16)17-13-9(14)4-5-10(13)15/h1-6,14-15H
InChIKeyBCITVPXGORAEBS-UHFFFAOYSA-N
XLogP1.31
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 4-fluorobenzoate
CID 53806470
(2,5-Dihydroxypyrrol-1-yl) benzoate
CID 53641498
(2,5-Dihydroxypyrrol-1-yl) 4-formylbenzoate
CID 54022956
(2,5-Dihydroxypyrrol-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
CID 54035650
(2,5-Dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate
CID 54206814
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)benzoate
CID 54301349
Bis(2,5-dihydroxypyrrol-1-yl) benzene-1,4-dicarboxylate
CID 54481700
2-O-(2,5-dihydroxypyrrol-1-yl) 1-O-methyl benzene-1,2-dicarboxylate
CID 90740315
2-(2,5-Dihydroxypyrrol-1-yl)-3-iodobenzoic acid
CID 90783411
(2,5-Dihydroxypyrrol-1-yl) 4-ethenylbenzoate
CID 90879181
(2,5-Dihydroxypyrrol-1-yl) 2-diphenylphosphanylbenzoate
CID 91021423
(2,5-Dihydroxypyrrol-1-yl) 2-formylbenzoate
CID 91545518

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate (CID 91017175) is (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate is O=C(On1c(O)ccc1O)c1cccc(F)c1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate?
The InChIKey is BCITVPXGORAEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-8-3-1-2-7(6-8)11(16)17-13-9(14)4-5-10(13)15/h1-6,14-15H.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate?
(2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate has a molecular weight of 237.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 3-fluorobenzoate is sourced from PubChem (CID 91017175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).