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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane

C73H48Br5Cl5F5N13O10 — CID 159319532

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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane

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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane (PubChem CID 159319532) has the molecular formula C73H48Br5Cl5F5N13O10 and a molecular weight of 1939.04 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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane.

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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane
• PubChem CID: 159319532
• Molecular Formula: C73H48Br5Cl5F5N13O10
• Molecular Weight: 1939.04 g/mol
• Exact Mass: 1930.79
• 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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane
• SMILES: C.NC1=NC2(CCO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=NC2(CCO1)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/4C15H10BrClFN3O2.C12H4BrClFNO2.CH4/c4*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;/h4*1-2,5-6H,3-4H2,(H2,19,21);1-4H;1H4/t2*15-;;;;/m10..../s1
• InChIKey: LDOPVOUVVHWCKF-SDQYGQRDSA-N
• XLogP: 19.42
• TPSA: 322.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1939.04
LogP ≤ 5	19.42
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-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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane?

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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane (CID 159319532) 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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane.

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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane?

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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane is C.NC1=NC2(CCO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.NC1=NC2(CCO1)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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane?

The InChIKey is LDOPVOUVVHWCKF-SDQYGQRDSA-N. The full InChI is InChI=1S/4C15H10BrClFN3O2.C12H4BrClFNO2.CH4/c4*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;/h4*1-2,5-6H,3-4H2,(H2,19,21);1-4H;1H4/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-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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane?

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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane has a molecular weight of 1939.04 g/mol, XLogP of 19.42, 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-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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine);methane is sourced from PubChem (CID 159319532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).