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

C72H44Br5Cl5F5N13O6S4 — CID 159769707

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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine) (PubChem CID 159769707) has the molecular formula C72H44Br5Cl5F5N13O6S4 and a molecular weight of 1987.27 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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-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;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine)
• PubChem CID: 159769707
• Molecular Formula: C72H44Br5Cl5F5N13O6S4
• Molecular Weight: 1987.27 g/mol
• Exact Mass: 1978.67
• 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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine)
• SMILES: NC1=NC2(CCS1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=NC2(CCS1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=N[C@@]2(CCS1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=N[C@]2(CCS1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.O=c1c2cc(Br)ccc2oc2c(F)nc(Cl)cc12
• InChI: InChI=1S/4C15H10BrClFN3OS.C12H4BrClFNO2/c4*16-7-1-2-10-8(5-7)15(3-4-23-14(19)21-15)9-6-11(17)20-13(18)12(9)22-10;13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h4*1-2,5-6H,3-4H2,(H2,19,21);1-4H/t2*15-;;;/m10.../s1
• InChIKey: NFYPHIGHFSZYBN-LEHZRZNWSA-N
• XLogP: 21.65
• TPSA: 285.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1987.27
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-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;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine) (CID 159769707) 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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-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;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-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;(4R)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine) is NC1=NC2(CCS1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=NC2(CCS1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=N[C@@]2(CCS1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=N[C@]2(CCS1)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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine)?

The InChIKey is NFYPHIGHFSZYBN-LEHZRZNWSA-N. The full InChI is InChI=1S/4C15H10BrClFN3OS.C12H4BrClFNO2/c4*16-7-1-2-10-8(5-7)15(3-4-23-14(19)21-15)9-6-11(17)20-13(18)12(9)22-10;13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h4*1-2,5-6H,3-4H2,(H2,19,21);1-4H/t2*15-;;;/m10.../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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine) has a molecular weight of 1987.27 g/mol, XLogP of 21.65, 0 rotatable bonds, 4 hydrogen bond donors, and 23 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-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-amine) is sourced from PubChem (CID 159769707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).