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

C14H8BrClFN3O2 — CID 58466112

IUPAC7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NC2(CO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F
InChIInChI=1S/C14H8BrClFN3O2/c15-6-1-2-9-7(3-6)14(5-21-13(18)20-14)8-4-10(16)19-12(17)11(8)22-9/h1-4H,5H2,(H2,18,20)
InChIKeyKFCJSMDNVYRTLW-UHFFFAOYSA-N
MW384.59 g/mol
LogP3.33
Rot. Bonds

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

7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 58466112) has the molecular formula C14H8BrClFN3O2 and a molecular weight of 384.59 g/mol. Its IUPAC name is 7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID58466112
Molecular FormulaC14H8BrClFN3O2
Molecular Weight384.59 g/mol
Exact Mass382.95
IUPAC Name7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESNC1=NC2(CO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F
InChIInChI=1S/C14H8BrClFN3O2/c15-6-1-2-9-7(3-6)14(5-21-13(18)20-14)8-4-10(16)19-12(17)11(8)22-9/h1-4H,5H2,(H2,18,20)
InChIKeyKFCJSMDNVYRTLW-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'}

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Frequently Asked Questions

What is the IUPAC name of 7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of 7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 58466112) is 7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for 7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for 7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=NC2(CO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.
What is the InChIKey of 7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is KFCJSMDNVYRTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFN3O2/c15-6-1-2-9-7(3-6)14(5-21-13(18)20-14)8-4-10(16)19-12(17)11(8)22-9/h1-4H,5H2,(H2,18,20).
What are the key properties of 7'-bromo-3'-chloro-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
7'-bromo-3'-chloro-1'-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-1'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 58466112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).