(2,5-dihydroxypyrrol-1-yl) carbonofluoridate

C5H4FNO4 — CID 123197367

IUPAC(2,5-dihydroxypyrrol-1-yl) carbonofluoridate
SMILESO=C(F)On1c(O)ccc1O
InChIInChI=1S/C5H4FNO4/c6-5(10)11-7-3(8)1-2-4(7)9/h1-2,8-9H
InChIKeyNJYRZDRMDKUCJO-UHFFFAOYSA-N
MW161.09 g/mol
LogP0.42
Rot. Bonds1

About (2,5-dihydroxypyrrol-1-yl) carbonofluoridate

(2,5-dihydroxypyrrol-1-yl) carbonofluoridate (PubChem CID 123197367) has the molecular formula C5H4FNO4 and a molecular weight of 161.09 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) carbonofluoridate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) carbonofluoridate
PubChem CID123197367
Molecular FormulaC5H4FNO4
Molecular Weight161.09 g/mol
Exact Mass161.01
IUPAC Name(2,5-dihydroxypyrrol-1-yl) carbonofluoridate
SMILESO=C(F)On1c(O)ccc1O
InChIInChI=1S/C5H4FNO4/c6-5(10)11-7-3(8)1-2-4(7)9/h1-2,8-9H
InChIKeyNJYRZDRMDKUCJO-UHFFFAOYSA-N
XLogP0.42
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.09
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2,2,2-trifluoroacetate
CID 54515596
1-Methylpyrrole-2,5-diol
CID 21326740
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
3-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 53739330
1-Iodopyrrole-2,5-diol
CID 53748320
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
1-Chloropyrrole-2,5-diol
CID 53783263
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
1-Hydroxypyrrole-2,5-diol
CID 53887891
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) carbonofluoridate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) carbonofluoridate (CID 123197367) is (2,5-dihydroxypyrrol-1-yl) carbonofluoridate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) carbonofluoridate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) carbonofluoridate is O=C(F)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) carbonofluoridate?
The InChIKey is NJYRZDRMDKUCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO4/c6-5(10)11-7-3(8)1-2-4(7)9/h1-2,8-9H.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) carbonofluoridate?
(2,5-dihydroxypyrrol-1-yl) carbonofluoridate has a molecular weight of 161.09 g/mol, XLogP of 0.42, 1 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) carbonofluoridate is sourced from PubChem (CID 123197367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).