7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine

C16H13BrClN3O2 — CID 58465875

IUPAC7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESCC1COC(N)=NC12c1cc(Br)ccc1Oc1cnc(Cl)cc12
InChIInChI=1S/C16H13BrClN3O2/c1-8-7-22-15(19)21-16(8)10-4-9(17)2-3-12(10)23-13-6-20-14(18)5-11(13)16/h2-6,8H,7H2,1H3,(H2,19,21)
InChIKeyAFRWHWSWWLMLFK-UHFFFAOYSA-N
MW394.66 g/mol
LogP3.83
Rot. Bonds

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

7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 58465875) has the molecular formula C16H13BrClN3O2 and a molecular weight of 394.66 g/mol. Its IUPAC name is 7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID58465875
Molecular FormulaC16H13BrClN3O2
Molecular Weight394.66 g/mol
Exact Mass392.99
IUPAC Name7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESCC1COC(N)=NC12c1cc(Br)ccc1Oc1cnc(Cl)cc12
InChIInChI=1S/C16H13BrClN3O2/c1-8-7-22-15(19)21-16(8)10-4-9(17)2-3-12(10)23-13-6-20-14(18)5-11(13)16/h2-6,8H,7H2,1H3,(H2,19,21)
InChIKeyAFRWHWSWWLMLFK-UHFFFAOYSA-N
XLogP3.83
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.66
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of 7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 58465875) is 7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for 7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for 7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine is CC1COC(N)=NC12c1cc(Br)ccc1Oc1cnc(Cl)cc12.
What is the InChIKey of 7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is AFRWHWSWWLMLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O2/c1-8-7-22-15(19)21-16(8)10-4-9(17)2-3-12(10)23-13-6-20-14(18)5-11(13)16/h2-6,8H,7H2,1H3,(H2,19,21).
What are the key properties of 7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine?
7'-bromo-3'-chloro-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 394.66 g/mol, XLogP of 3.83, 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-5-methylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 58465875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).