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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate

C71H44Br5Cl5F5N13O11 — CID 158224194

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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate

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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate (PubChem CID 158224194) has the molecular formula C71H44Br5Cl5F5N13O11 and a molecular weight of 1926.99 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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate.

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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate
• PubChem CID: 158224194
• Molecular Formula: C71H44Br5Cl5F5N13O11
• Molecular Weight: 1926.99 g/mol
• Exact Mass: 1918.76
• 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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate
• SMILES: CC1(/N=C(/N)OO)c2cc(Br)ccc2Oc2c1cc(Cl)nc2F.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/3C15H10BrClFN3O2.C14H10BrClFN3O3.C12H4BrClFNO2/c3*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;1-14(20-13(18)23-21)7-4-6(15)2-3-9(7)22-11-8(14)5-10(16)19-12(11)17;13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h3*1-2,5-6H,3-4H2,(H2,19,21);2-5,21H,1H3,(H2,18,20);1-4H/t2*15-;;;/m10.../s1
• InChIKey: GDPHKUXVNFJISD-LEHZRZNWSA-N
• XLogP: 18.87
• TPSA: 342.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 1
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1926.99
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', '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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate?

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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate (CID 158224194) 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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate.

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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate?

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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate is CC1(/N=C(/N)OO)c2cc(Br)ccc2Oc2c1cc(Cl)nc2F.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;7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate?

The InChIKey is GDPHKUXVNFJISD-LEHZRZNWSA-N. The full InChI is InChI=1S/3C15H10BrClFN3O2.C14H10BrClFN3O3.C12H4BrClFNO2/c3*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;1-14(20-13(18)23-21)7-4-6(15)2-3-9(7)22-11-8(14)5-10(16)19-12(11)17;13-5-1-2-8-6(3-5)10(17)7-4-9(14)16-12(15)11(7)18-8/h3*1-2,5-6H,3-4H2,(H2,19,21);2-5,21H,1H3,(H2,18,20);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-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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate?

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[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate has a molecular weight of 1926.99 g/mol, XLogP of 18.87, 1 rotatable bonds, 5 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;7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;hydroxy N'-(7-bromo-3-chloro-1-fluoro-5-methylchromeno[2,3-c]pyridin-5-yl)carbamimidate is sourced from PubChem (CID 158224194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).