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;2-methylprop-1-ene

C32H26Br2Cl2N4O4 — CID 159959478

About 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;2-methylprop-1-ene

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;2-methylprop-1-ene (PubChem CID 159959478) has the molecular formula C32H26Br2Cl2N4O4 and a molecular weight of 761.30 g/mol. Its IUPAC name is 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;2-methylprop-1-ene.

Molecular Properties

• Compound Name: 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;2-methylprop-1-ene
• PubChem CID: 159959478
• Molecular Formula: C32H26Br2Cl2N4O4
• Molecular Weight: 761.30 g/mol
• Exact Mass: 757.97
• IUPAC Name: 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;2-methylprop-1-ene
• SMILES: C=C(C)C.CC1COC(N)=NC12c1cc(Br)ccc1Oc1cnc(Cl)cc12.O=c1c2cc(Br)ccc2oc2cnc(Cl)cc12
• InChI: InChI=1S/C16H13BrClN3O2.C12H5BrClNO2.C4H8/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;1-4(2)3/h2-6,8H,7H2,1H3,(H2,19,21);1-5H;1H2,2-3H3
• InChIKey: ODDHZKPXFUHLAX-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 112.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.30
LogP ≤ 5	9.17
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;2-methylprop-1-ene?

The IUPAC name of 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;2-methylprop-1-ene (CID 159959478) is 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;2-methylprop-1-ene.

What is the SMILES notation for 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;2-methylprop-1-ene?

The canonical SMILES for 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;2-methylprop-1-ene is C=C(C)C.CC1COC(N)=NC12c1cc(Br)ccc1Oc1cnc(Cl)cc12.O=c1c2cc(Br)ccc2oc2cnc(Cl)cc12.

What is the InChIKey of 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;2-methylprop-1-ene?

The InChIKey is ODDHZKPXFUHLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O2.C12H5BrClNO2.C4H8/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;1-4(2)3/h2-6,8H,7H2,1H3,(H2,19,21);1-5H;1H2,2-3H3.

What are the key properties of 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;2-methylprop-1-ene?

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;2-methylprop-1-ene has a molecular weight of 761.30 g/mol, XLogP of 9.17, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-methylprop-1-ene is sourced from PubChem (CID 159959478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).