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

C5H5NO4 — CID 54439148

IUPAC(2,5-dihydroxypyrrol-1-yl) formate
SMILESO=COn1c(O)ccc1O
InChIInChI=1S/C5H5NO4/c7-3-10-6-4(8)1-2-5(6)9/h1-3,8-9H
InChIKeyZRUJRPFDWOLKLV-UHFFFAOYSA-N
MW143.10 g/mol
LogP-0.52
Rot. Bonds2

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

(2,5-dihydroxypyrrol-1-yl) formate (PubChem CID 54439148) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) formate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) formate
PubChem CID54439148
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Name(2,5-dihydroxypyrrol-1-yl) formate
SMILESO=COn1c(O)ccc1O
InChIInChI=1S/C5H5NO4/c7-3-10-6-4(8)1-2-5(6)9/h1-3,8-9H
InChIKeyZRUJRPFDWOLKLV-UHFFFAOYSA-N
XLogP-0.52
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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
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
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) formate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) formate (CID 54439148) is (2,5-dihydroxypyrrol-1-yl) formate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) formate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) formate is O=COn1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) formate?
The InChIKey is ZRUJRPFDWOLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c7-3-10-6-4(8)1-2-5(6)9/h1-3,8-9H.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) formate?
(2,5-dihydroxypyrrol-1-yl) formate has a molecular weight of 143.10 g/mol, XLogP of -0.52, 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) formate is sourced from PubChem (CID 54439148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).