magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide

C31H23Br3Cl2MgN4O4 — CID 159184071

About magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide

magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide (PubChem CID 159184071) has the molecular formula C31H23Br3Cl2MgN4O4 and a molecular weight of 850.47 g/mol. Its IUPAC name is magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide.

Molecular Properties

• Compound Name: magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide
• PubChem CID: 159184071
• Molecular Formula: C31H23Br3Cl2MgN4O4
• Molecular Weight: 850.47 g/mol
• Exact Mass: 845.85
• IUPAC Name: magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide
• SMILES: C=[C-]C.CC1COC(N)=NC12c1cc(Br)ccc1Oc1cnc(Cl)cc12.O=c1c2cc(Br)ccc2oc2cnc(Cl)cc12.[Br-].[Mg+2]
• InChI: InChI=1S/C16H13BrClN3O2.C12H5BrClNO2.C3H5.BrH.Mg/c1-8-7-22-15(19)21-16(8)10-4-9(17)2-3-12(10)23-13-6-20-14(18)5-11(13)16;13-6-1-2-9-7(3-6)12(16)8-4-11(14)15-5-10(8)17-9;1-3-2;;/h2-6,8H,7H2,1H3,(H2,19,21);1-5H;1H2,2H3;1H;/q;;-1;;+2/p-1
• InChIKey: BTOPONAEZKSICU-UHFFFAOYSA-M
• XLogP: 5.20
• TPSA: 112.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.47
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide?

The IUPAC name of magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide (CID 159184071) is magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide.

What is the SMILES notation for magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide?

The canonical SMILES for magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide is C=[C-]C.CC1COC(N)=NC12c1cc(Br)ccc1Oc1cnc(Cl)cc12.O=c1c2cc(Br)ccc2oc2cnc(Cl)cc12.[Br-].[Mg+2].

What is the InChIKey of magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide?

The InChIKey is BTOPONAEZKSICU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13BrClN3O2.C12H5BrClNO2.C3H5.BrH.Mg/c1-8-7-22-15(19)21-16(8)10-4-9(17)2-3-12(10)23-13-6-20-14(18)5-11(13)16;13-6-1-2-9-7(3-6)12(16)8-4-11(14)15-5-10(8)17-9;1-3-2;;/h2-6,8H,7H2,1H3,(H2,19,21);1-5H;1H2,2H3;1H;/q;;-1;;+2/p-1.

What are the key properties of magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide?

magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide has a molecular weight of 850.47 g/mol, XLogP of 5.20, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;prop-1-ene;bromide is sourced from PubChem (CID 159184071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).