3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine

C15H11BrIN3OS — CID 67437973

IUPAC3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESNC1=NC2(CCS1)c1cc(I)ccc1Oc1ncc(Br)cc12
InChIInChI=1S/C15H11BrIN3OS/c16-8-5-11-13(19-7-8)21-12-2-1-9(17)6-10(12)15(11)3-4-22-14(18)20-15/h1-2,5-7H,3-4H2,(H2,18,20)
InChIKeyTZHJQMYBHYYPTC-UHFFFAOYSA-N
MW488.15 g/mol
LogP4.25
Rot. Bonds

About 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine

3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine (PubChem CID 67437973) has the molecular formula C15H11BrIN3OS and a molecular weight of 488.15 g/mol. Its IUPAC name is 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine.

Molecular Properties

Compound Name3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine
PubChem CID67437973
Molecular FormulaC15H11BrIN3OS
Molecular Weight488.15 g/mol
Exact Mass486.89
IUPAC Name3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESNC1=NC2(CCS1)c1cc(I)ccc1Oc1ncc(Br)cc12
InChIInChI=1S/C15H11BrIN3OS/c16-8-5-11-13(19-7-8)21-12-2-1-9(17)6-10(12)15(11)3-4-22-14(18)20-15/h1-2,5-7H,3-4H2,(H2,18,20)
InChIKeyTZHJQMYBHYYPTC-UHFFFAOYSA-N
XLogP4.25
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.15
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3'-bromo-7'-iodospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine;(4S)-3'-(3,3-dimethylbutyl)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 157059002
N-(2-amino-3'-bromospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide
CID 78104844
(4S)-3'-bromo-7'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]
CID 67382943
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-pyrimidin-2-ylspiro[5H-1,3-thiazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 58466117
(3S)-2'-bromo-7'-iodospiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
CID 141263231
7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 86709320
3-bromo-7-methoxy-5-methylchromeno[2,3-b]pyridin-5-ol
CID 67383166
(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465879
N-(7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-yl)-4-nitrobenzamide;hydrochloride
CID 86658375
7'-bromo-2'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67383035
(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 90156588
N-[(4S)-2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl]-5-methoxypyrazine-2-carboxamide
CID 71542790

Frequently Asked Questions

What is the IUPAC name of 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The IUPAC name of 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine (CID 67437973) is 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine.
What is the SMILES notation for 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The canonical SMILES for 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine is NC1=NC2(CCS1)c1cc(I)ccc1Oc1ncc(Br)cc12.
What is the InChIKey of 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The InChIKey is TZHJQMYBHYYPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrIN3OS/c16-8-5-11-13(19-7-8)21-12-2-1-9(17)6-10(12)15(11)3-4-22-14(18)20-15/h1-2,5-7H,3-4H2,(H2,18,20).
What are the key properties of 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine?
3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine has a molecular weight of 488.15 g/mol, XLogP of 4.25, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-bromo-7'-iodospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-b]pyridine]-2-amine is sourced from PubChem (CID 67437973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).