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

C57H34Br4Cl4F4N10O8 — CID 157364183

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

7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine (PubChem CID 157364183) has the molecular formula C57H34Br4Cl4F4N10O8 and a molecular weight of 1524.38 g/mol. Its IUPAC name is 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine.

Molecular Properties

• Compound Name: 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
• PubChem CID: 157364183
• Molecular Formula: C57H34Br4Cl4F4N10O8
• Molecular Weight: 1524.38 g/mol
• Exact Mass: 1517.80
• IUPAC Name: 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
• SMILES: NC1=NC2(COC1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=N[C@@]2(CCO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=N[C@]2(CCO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.O=c1c2cc(Br)ccc2oc2c(F)nc(Cl)cc12
• InChI: InChI=1S/3C15H10BrClFN3O2.C12H4BrClFNO2/c16-7-1-2-10-8(3-7)15(6-22-5-12(19)21-15)9-4-11(17)20-14(18)13(9)23-10;2*16-7-1-2-10-8(5-7)15(3-4-22-14(19)21-15)9-6-11(17)20-13(18)12(9)23-10;13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h1-4H,5-6H2,(H2,19,21);2*1-2,5-6H,3-4H2,(H2,19,21);1-4H/t;2*15-;/m.10./s1
• InChIKey: BIZJJESTHSRPTD-NMAMMXOQSA-N
• XLogP: 14.71
• TPSA: 252.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.38
LogP ≤ 5	14.71
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-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?

The IUPAC name of 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine (CID 157364183) is 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine.

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

The canonical SMILES for 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine is NC1=NC2(COC1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=N[C@@]2(CCO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=N[C@]2(CCO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.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;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?

The InChIKey is BIZJJESTHSRPTD-NMAMMXOQSA-N. The full InChI is InChI=1S/3C15H10BrClFN3O2.C12H4BrClFNO2/c16-7-1-2-10-8(3-7)15(6-22-5-12(19)21-15)9-4-11(17)20-14(18)13(9)23-10;2*16-7-1-2-10-8(5-7)15(3-4-22-14(19)21-15)9-6-11(17)20-13(18)12(9)23-10;13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h1-4H,5-6H2,(H2,19,21);2*1-2,5-6H,3-4H2,(H2,19,21);1-4H/t;2*15-;/m.10./s1.

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

7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine has a molecular weight of 1524.38 g/mol, XLogP of 14.71, 0 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-3-chloro-1-fluorochromeno[2,3-c]pyridin-5-one;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;7'-bromo-3'-chloro-1'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine is sourced from PubChem (CID 157364183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).