(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine)

C85H59Br6Cl6N15O12 — CID 158427125

About (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine)

(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine) (PubChem CID 158427125) has the molecular formula C85H59Br6Cl6N15O12 and a molecular weight of 2174.64 g/mol. Its IUPAC name is (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine).

Molecular Properties

• Compound Name: (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine)
• PubChem CID: 158427125
• Molecular Formula: C85H59Br6Cl6N15O12
• Molecular Weight: 2174.64 g/mol
• Exact Mass: 2164.77
• IUPAC Name: (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine)
• SMILES: NC1(CO)c2cc(Br)ccc2Oc2cnc(Cl)cc21.NC1=NC2(COC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=NC2(COC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=N[C@@]2(COC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=N[C@]2(COC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.O=c1c2cc(Br)ccc2oc2cnc(Cl)cc12
• InChI: InChI=1S/4C15H11BrClN3O2.C13H10BrClN2O2.C12H5BrClNO2/c4*16-8-1-2-11-9(3-8)15(7-21-6-14(18)20-15)10-4-13(17)19-5-12(10)22-11;14-7-1-2-10-8(3-7)13(16,6-18)9-4-12(15)17-5-11(9)19-10;13-6-1-2-9-7(3-6)12(16)8-4-11(14)15-5-10(8)17-9/h4*1-5H,6-7H2,(H2,18,20);1-5,18H,6,16H2;1-5H/t2*15-;;;;/m10..../s1
• InChIKey: HBENYYZRAPMNKM-SDQYGQRDSA-N
• XLogP: 19.49
• TPSA: 390.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 1
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2174.64
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

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 (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine)?

The IUPAC name of (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine) (CID 158427125) is (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine).

What is the SMILES notation for (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine)?

The canonical SMILES for (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine) is NC1(CO)c2cc(Br)ccc2Oc2cnc(Cl)cc21.NC1=NC2(COC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=NC2(COC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=N[C@@]2(COC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.NC1=N[C@]2(COC1)c1cc(Br)ccc1Oc1cnc(Cl)cc12.O=c1c2cc(Br)ccc2oc2cnc(Cl)cc12.

What is the InChIKey of (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine)?

The InChIKey is HBENYYZRAPMNKM-SDQYGQRDSA-N. The full InChI is InChI=1S/4C15H11BrClN3O2.C13H10BrClN2O2.C12H5BrClNO2/c4*16-8-1-2-11-9(3-8)15(7-21-6-14(18)20-15)10-4-13(17)19-5-12(10)22-11;14-7-1-2-10-8(3-7)13(16,6-18)9-4-12(15)17-5-11(9)19-10;13-6-1-2-9-7(3-6)12(16)8-4-11(14)15-5-10(8)17-9/h4*1-5H,6-7H2,(H2,18,20);1-5,18H,6,16H2;1-5H/t2*15-;;;;/m10..../s1.

What are the key properties of (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine)?

(5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine) has a molecular weight of 2174.64 g/mol, XLogP of 19.49, 1 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5-amino-7-bromo-3-chlorochromeno[2,3-c]pyridin-5-yl)methanol;7-bromo-3-chlorochromeno[2,3-c]pyridin-5-one;(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;(5R)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine;bis(7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine) is sourced from PubChem (CID 158427125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).