7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine

C57H38Br4Cl4N10O8 — CID 159076261

About 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine

7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 159076261) has the molecular formula C57H38Br4Cl4N10O8 and a molecular weight of 1452.42 g/mol. Its IUPAC name is 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

• Compound Name: 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
• PubChem CID: 159076261
• Molecular Formula: C57H38Br4Cl4N10O8
• Molecular Weight: 1452.42 g/mol
• Exact Mass: 1445.84
• IUPAC Name: 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
• SMILES: NC1=NC2(CCO1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=N[C@@]2(CCO1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=N[C@]2(CCO1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.O=c1c2cc(Br)ccc2oc2cnc(Cl)cc12
• InChI: InChI=1S/3C15H11BrClN3O2.C12H5BrClNO2/c3*16-8-1-2-11-9(5-8)15(3-4-21-14(18)20-15)10-6-13(17)19-7-12(10)22-11;13-6-1-2-9-7(3-6)12(16)8-4-11(14)15-5-10(8)17-9/h3*1-2,5-7H,3-4H2,(H2,18,20);1-5H/t2*15-;;/m10../s1
• InChIKey: KAHDGQYXIXVBCE-XRWJVORGSA-N
• XLogP: 14.50
• TPSA: 252.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1452.42
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?

The IUPAC name of 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 159076261) is 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine.

What is the SMILES notation for 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?

The canonical SMILES for 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=NC2(CCO1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=N[C@@]2(CCO1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=N[C@]2(CCO1)c1cc(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;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?

The InChIKey is KAHDGQYXIXVBCE-XRWJVORGSA-N. The full InChI is InChI=1S/3C15H11BrClN3O2.C12H5BrClNO2/c3*16-8-1-2-11-9(5-8)15(3-4-21-14(18)20-15)10-6-13(17)19-7-12(10)22-11;13-6-1-2-9-7(3-6)12(16)8-4-11(14)15-5-10(8)17-9/h3*1-2,5-7H,3-4H2,(H2,18,20);1-5H/t2*15-;;/m10../s1.

What are the key properties of 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?

7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 1452.42 g/mol, XLogP of 14.50, 0 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(4S)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4R)-7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 159076261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).