7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane

C28H17Br3Cl2F2N4O4 — CID 159525895

About 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane

7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane (PubChem CID 159525895) has the molecular formula C28H17Br3Cl2F2N4O4 and a molecular weight of 822.08 g/mol. Its IUPAC name is 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane.

Molecular Properties

• Compound Name: 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane
• PubChem CID: 159525895
• Molecular Formula: C28H17Br3Cl2F2N4O4
• Molecular Weight: 822.08 g/mol
• Exact Mass: 817.81
• IUPAC Name: 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane
• SMILES: CBr.NC1=NC2(COC1)c1cc(Br)c(F)cc1Oc1ncc(Cl)cc12.O=c1c2cc(Br)c(F)cc2oc2ncc(Cl)cc12
• InChI: InChI=1S/C15H10BrClFN3O2.C12H4BrClFNO2.CH3Br/c16-10-2-8-12(3-11(10)18)23-14-9(1-7(17)4-20-14)15(8)6-22-5-13(19)21-15;13-8-2-6-10(3-9(8)15)18-12-7(11(6)17)1-5(14)4-16-12;1-2/h1-4H,5-6H2,(H2,19,21);1-4H;1H3
• InChIKey: MCJMWTLUHTUKAS-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 112.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.08
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', '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-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane?

The IUPAC name of 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane (CID 159525895) is 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane.

What is the SMILES notation for 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane?

The canonical SMILES for 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane is CBr.NC1=NC2(COC1)c1cc(Br)c(F)cc1Oc1ncc(Cl)cc12.O=c1c2cc(Br)c(F)cc2oc2ncc(Cl)cc12.

What is the InChIKey of 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane?

The InChIKey is MCJMWTLUHTUKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3O2.C12H4BrClFNO2.CH3Br/c16-10-2-8-12(3-11(10)18)23-14-9(1-7(17)4-20-14)15(8)6-22-5-13(19)21-15;13-8-2-6-10(3-9(8)15)18-12-7(11(6)17)1-5(14)4-16-12;1-2/h1-4H,5-6H2,(H2,19,21);1-4H;1H3.

What are the key properties of 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane?

7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane has a molecular weight of 822.08 g/mol, XLogP of 8.28, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-3-chloro-8-fluorochromeno[2,3-b]pyridin-5-one;7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine;bromomethane is sourced from PubChem (CID 159525895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).