7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine

C15H10BrClFN3O2 — CID 58466002

IUPAC7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine
SMILESNC1=NC2(COC1)c1cc(Br)c(F)cc1Oc1ncc(Cl)cc12
InChIInChI=1S/C15H10BrClFN3O2/c16-10-2-8-12(3-11(10)18)23-14-9(1-7(17)4-20-14)15(8)6-22-5-13(19)21-15/h1-4H,5-6H2,(H2,19,21)
InChIKeyQRORREOXJFUOFM-UHFFFAOYSA-N
MW398.62 g/mol
LogP3.37
Rot. Bonds

About 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine

7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine (PubChem CID 58466002) has the molecular formula C15H10BrClFN3O2 and a molecular weight of 398.62 g/mol. Its IUPAC name is 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine.

Molecular Properties

Compound Name7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine
PubChem CID58466002
Molecular FormulaC15H10BrClFN3O2
Molecular Weight398.62 g/mol
Exact Mass396.96
IUPAC Name7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine
SMILESNC1=NC2(COC1)c1cc(Br)c(F)cc1Oc1ncc(Cl)cc12
InChIInChI=1S/C15H10BrClFN3O2/c16-10-2-8-12(3-11(10)18)23-14-9(1-7(17)4-20-14)15(8)6-22-5-13(19)21-15/h1-4H,5-6H2,(H2,19,21)
InChIKeyQRORREOXJFUOFM-UHFFFAOYSA-N
XLogP3.37
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine?
The IUPAC name of 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine (CID 58466002) is 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine.
What is the SMILES notation for 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine?
The canonical SMILES for 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine is NC1=NC2(COC1)c1cc(Br)c(F)cc1Oc1ncc(Cl)cc12.
What is the InChIKey of 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine?
The InChIKey is QRORREOXJFUOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3O2/c16-10-2-8-12(3-11(10)18)23-14-9(1-7(17)4-20-14)15(8)6-22-5-13(19)21-15/h1-4H,5-6H2,(H2,19,21).
What are the key properties of 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine?
7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine has a molecular weight of 398.62 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromo-3'-chloro-8'-fluorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine is sourced from PubChem (CID 58466002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).