(2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate

C13H10FNO4 — CID 54350533

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(F)cc1)On1c(O)ccc1O
InChIInChI=1S/C13H10FNO4/c14-10-4-1-9(2-5-10)3-8-13(18)19-15-11(16)6-7-12(15)17/h1-8,16-17H
InChIKeyUFKCANQCYSYIGC-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.71
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate

(2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate (PubChem CID 54350533) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate
PubChem CID54350533
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(F)cc1)On1c(O)ccc1O
InChIInChI=1S/C13H10FNO4/c14-10-4-1-9(2-5-10)3-8-13(18)19-15-11(16)6-7-12(15)17/h1-8,16-17H
InChIKeyUFKCANQCYSYIGC-UHFFFAOYSA-N
XLogP1.71
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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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-ethenylbenzoate
CID 90879181
(2,5-Dihydroxypyrrol-1-yl) 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 53649120
(2,5-Dihydroxypyrrol-1-yl) 3-(3-fluoro-4-hydroxyphenyl)propanoate
CID 54159161
(2,5-Dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate
CID 54276619
1-[2-(4-Fluorophenyl)ethyl]pyrrole-2,5-diol
CID 90738632
(2,5-Dihydroxypyrrol-1-yl) 3-fluorobenzoate
CID 91017175
(2,5-Dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate
CID 91121680
1-(2,6-Difluorophenyl)ethyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 91199337
(2,5-Dihydroxypyrrol-1-yl) 2-fluorobenzoate
CID 91258146

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate (CID 54350533) is (2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate is O=C(C=Cc1ccc(F)cc1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate?
The InChIKey is UFKCANQCYSYIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c14-10-4-1-9(2-5-10)3-8-13(18)19-15-11(16)6-7-12(15)17/h1-8,16-17H.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate?
(2,5-dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate has a molecular weight of 263.22 g/mol, XLogP of 1.71, 3 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-(4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 54350533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).