7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine

C16H12BrF2N3O3 — CID 67438255

IUPAC7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
SMILESNC1=NC2(COC1)c1cc(Br)ccc1Oc1cnc(OC(F)F)cc12
InChIInChI=1S/C16H12BrF2N3O3/c17-8-1-2-11-9(3-8)16(7-23-6-13(20)22-16)10-4-14(25-15(18)19)21-5-12(10)24-11/h1-5,15H,6-7H2,(H2,20,22)
InChIKeyAKHAYSHPJZKFBT-UHFFFAOYSA-N
MW412.19 g/mol
LogP3.18
Rot. Bonds2

About 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine

7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine (PubChem CID 67438255) has the molecular formula C16H12BrF2N3O3 and a molecular weight of 412.19 g/mol. Its IUPAC name is 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine.

Molecular Properties

Compound Name7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
PubChem CID67438255
Molecular FormulaC16H12BrF2N3O3
Molecular Weight412.19 g/mol
Exact Mass411.00
IUPAC Name7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
SMILESNC1=NC2(COC1)c1cc(Br)ccc1Oc1cnc(OC(F)F)cc12
InChIInChI=1S/C16H12BrF2N3O3/c17-8-1-2-11-9(3-8)16(7-23-6-13(20)22-16)10-4-14(25-15(18)19)21-5-12(10)24-11/h1-5,15H,6-7H2,(H2,20,22)
InChIKeyAKHAYSHPJZKFBT-UHFFFAOYSA-N
XLogP3.18
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 67440041
(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465879
7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 86709320
5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67437659
3-[5-amino-7'-(3-fluorophenyl)spiro[2,6-dihydro-1,4-oxazine-3,5'-chromeno[2,3-c]pyridine]-3'-yl]oxy-2,2-dimethylpropanenitrile
CID 53390577
(5S)-7'-bromo-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 162041932
(5R)-2'-bromo-7'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5R)-2'-bromo-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one;2'-bromo-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 158855477
7'-bromo-2'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67383035
7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol
CID 160671418
spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine
CID 86658382
(4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine
CID 71059576
(6S)-2-amino-7'-bromo-3'-chloro-3-methylspiro[5H-pyrimidine-6,5'-chromeno[2,3-c]pyridine]-4-one
CID 91819658

Frequently Asked Questions

What is the IUPAC name of 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?
The IUPAC name of 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine (CID 67438255) is 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine.
What is the SMILES notation for 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?
The canonical SMILES for 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine is NC1=NC2(COC1)c1cc(Br)ccc1Oc1cnc(OC(F)F)cc12.
What is the InChIKey of 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?
The InChIKey is AKHAYSHPJZKFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3O3/c17-8-1-2-11-9(3-8)16(7-23-6-13(20)22-16)10-4-14(25-15(18)19)21-5-12(10)24-11/h1-5,15H,6-7H2,(H2,20,22).
What are the key properties of 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?
7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine has a molecular weight of 412.19 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine is sourced from PubChem (CID 67438255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).