(2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione

C11H10BrN3O3 — CID 14371736

IUPAC(2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione
SMILESC[C@H]1C[C@@]2(NC(=O)NC2=O)c2cc(Br)cnc2O1
InChIInChI=1S/C11H10BrN3O3/c1-5-3-11(9(16)14-10(17)15-11)7-2-6(12)4-13-8(7)18-5/h2,4-5H,3H2,1H3,(H2,14,15,16,17)/t5-,11+/m0/s1
InChIKeyVHWBCKDVYVZISE-ULHQUTTKSA-N
MW312.12 g/mol
LogP1.05
Rot. Bonds

About (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione

(2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione (PubChem CID 14371736) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione
PubChem CID14371736
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC Name(2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione
SMILESC[C@H]1C[C@@]2(NC(=O)NC2=O)c2cc(Br)cnc2O1
InChIInChI=1S/C11H10BrN3O3/c1-5-3-11(9(16)14-10(17)15-11)7-2-6(12)4-13-8(7)18-5/h2,4-5H,3H2,1H3,(H2,14,15,16,17)/t5-,11+/m0/s1
InChIKeyVHWBCKDVYVZISE-ULHQUTTKSA-N
XLogP1.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-6-chloro-2-methyl-8-oxidospiro[2,3-dihydropyrano[2,3-b]pyridin-8-ium-4,5'-imidazolidine]-2',4'-dione
CID 14371716
(3R)-5-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 154872521
6-bromo-2-(3-methylphenyl)spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
CID 91177417
CID 67236589
CID 67236589
6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 10869704
(1R,3S)-1-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 129362407
(3R)-6-bromospiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 118958026
CID 158592820
CID 158592820
7-bromospiro[1,4-dihydropyrido[2,3-b]pyrazine-3,4'-oxane]-2-one
CID 115293397
6-bromo-2-methyl-2-(pyridin-3-ylmethyl)spiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
CID 67234942
5-bromo-3H-furo[2,3-b]pyridin-2-one
CID 154613025
(2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid
CID 10107688

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione (CID 14371736) is (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione is C[C@H]1C[C@@]2(NC(=O)NC2=O)c2cc(Br)cnc2O1.
What is the InChIKey of (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is VHWBCKDVYVZISE-ULHQUTTKSA-N. The full InChI is InChI=1S/C11H10BrN3O3/c1-5-3-11(9(16)14-10(17)15-11)7-2-6(12)4-13-8(7)18-5/h2,4-5H,3H2,1H3,(H2,14,15,16,17)/t5-,11+/m0/s1.
What are the key properties of (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione?
(2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 312.12 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-6-bromo-2-methylspiro[2,3-dihydropyrano[2,3-b]pyridine-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 14371736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).