1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol

C14H15BrN2O3 — CID 91475481

IUPAC1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol
SMILESOc1cc(N2CCOCC2)c(O)n1-c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O3/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,9,18-19H,5-8H2
InChIKeyPWTVBAGHHYNEMA-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.49
Rot. Bonds2

About 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol

1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol (PubChem CID 91475481) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol
PubChem CID91475481
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol
SMILESOc1cc(N2CCOCC2)c(O)n1-c1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O3/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,9,18-19H,5-8H2
InChIKeyPWTVBAGHHYNEMA-UHFFFAOYSA-N
XLogP2.49
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-1,3-oxazolidine
CID 150695273
1-methyl-3-morpholin-4-ylpyrrole-2,5-diol
CID 91205176
1-(3-hydroxyphenyl)-3-piperidin-1-ylpyrrole-2,5-diol
CID 91489027
5-morpholin-4-ylbenzene-1,3-diol
CID 58923367
(2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
CID 25337305
(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
5-bromo-2-(1,4-oxazepan-4-yl)aniline
CID 62988135
1-(4-bromophenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 4657995
1-phenyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrole-2,5-diol
CID 91936381
5-bromo-2-fluorobenzonitrile;5-bromo-2-morpholin-4-ylbenzonitrile
CID 162241536
(4-bromo-2-morpholin-4-ylphenyl)methylidenehydrazine
CID 168529961
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol?
The IUPAC name of 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol (CID 91475481) is 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol.
What is the SMILES notation for 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol?
The canonical SMILES for 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol is Oc1cc(N2CCOCC2)c(O)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol?
The InChIKey is PWTVBAGHHYNEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,9,18-19H,5-8H2.
What are the key properties of 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol?
1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol has a molecular weight of 339.19 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-morpholin-4-ylpyrrole-2,5-diol is sourced from PubChem (CID 91475481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).