7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine

C28H17Br2Cl2FN4O5 — CID 159619455

About 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine

7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 159619455) has the molecular formula C28H17Br2Cl2FN4O5 and a molecular weight of 739.18 g/mol. Its IUPAC name is 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

• Compound Name: 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
• PubChem CID: 159619455
• Molecular Formula: C28H17Br2Cl2FN4O5
• Molecular Weight: 739.18 g/mol
• Exact Mass: 735.89
• IUPAC Name: 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
• SMILES: COc1nc(Cl)cc2c1Oc1ccc(Br)cc1C21CCOC(N)=N1.O=c1c2cc(Br)ccc2oc2c(F)nc(Cl)cc12
• InChI: InChI=1S/C16H13BrClN3O3.C12H4BrClFNO2/c1-22-14-13-10(7-12(18)20-14)16(4-5-23-15(19)21-16)9-6-8(17)2-3-11(9)24-13;13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h2-3,6-7H,4-5H2,1H3,(H2,19,21);1-4H
• InChIKey: MNRZNSNKTKFZRY-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 122.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.18
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?

The IUPAC name of 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 159619455) is 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine.

What is the SMILES notation for 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?

The canonical SMILES for 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine is COc1nc(Cl)cc2c1Oc1ccc(Br)cc1C21CCOC(N)=N1.O=c1c2cc(Br)ccc2oc2c(F)nc(Cl)cc12.

What is the InChIKey of 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?

The InChIKey is MNRZNSNKTKFZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O3.C12H4BrClFNO2/c1-22-14-13-10(7-12(18)20-14)16(4-5-23-15(19)21-16)9-6-8(17)2-3-11(9)24-13;13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h2-3,6-7H,4-5H2,1H3,(H2,19,21);1-4H.

What are the key properties of 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?

7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 739.18 g/mol, XLogP of 7.49, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;7'-bromo-3'-chloro-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 159619455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).