7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

C14H8BrClFN3O2 — CID 58466232

IUPAC7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NC2(CO1)c1cc(Cl)ncc1Oc1c(F)cc(Br)cc12
InChIInChI=1S/C14H8BrClFN3O2/c15-6-1-8-12(9(17)2-6)22-10-4-19-11(16)3-7(10)14(8)5-21-13(18)20-14/h1-4H,5H2,(H2,18,20)
InChIKeyLUFMGYLCAPMSLU-UHFFFAOYSA-N
MW384.59 g/mol
LogP3.33
Rot. Bonds

About 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 58466232) has the molecular formula C14H8BrClFN3O2 and a molecular weight of 384.59 g/mol. Its IUPAC name is 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID58466232
Molecular FormulaC14H8BrClFN3O2
Molecular Weight384.59 g/mol
Exact Mass382.95
IUPAC Name7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NC2(CO1)c1cc(Cl)ncc1Oc1c(F)cc(Br)cc12
InChIInChI=1S/C14H8BrClFN3O2/c15-6-1-8-12(9(17)2-6)22-10-4-19-11(16)3-7(10)14(8)5-21-13(18)20-14/h1-4H,5H2,(H2,18,20)
InChIKeyLUFMGYLCAPMSLU-UHFFFAOYSA-N
XLogP3.33
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine with MolForge

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Related Compounds

7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol
CID 160671418
(4S)-3'-chloro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 86640739
(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465879
7'-bromo-2'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
CID 67383035
5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67437659
(4S)-2-amino-7'-bromo-4'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol;(4S)-2'-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4'-fluoro-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 157342008
7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 86709320
(6S)-2-amino-7'-bromo-3'-chloro-3-methylspiro[5H-pyrimidine-6,5'-chromeno[2,3-c]pyridine]-4-one
CID 91819658
3',5'-difluoro-2'-(2-fluoro-3-pyridinyl)-7'-morpholin-4-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67438609
(4S)-4'-fluoro-7'-(6-fluoro-3-pyridinyl)-2'-(3-methoxy-3-methylbut-1-ynyl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 90003022
(3S)-7'-bromo-3'-chlorospiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-c]pyridine]-5-amine
CID 141263181
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;bis(7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine)
CID 159403295

Frequently Asked Questions

What is the IUPAC name of 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 58466232) is 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=NC2(CO1)c1cc(Cl)ncc1Oc1c(F)cc(Br)cc12.
What is the InChIKey of 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is LUFMGYLCAPMSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFN3O2/c15-6-1-8-12(9(17)2-6)22-10-4-19-11(16)3-7(10)14(8)5-21-13(18)20-14/h1-4H,5H2,(H2,18,20).
What are the key properties of 7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 384.59 g/mol, XLogP of 3.33, 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-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 58466232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).