7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine

C18H10BrClN4O2 — CID 86689266

IUPAC7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine
SMILESNC1=NC2(c3cc(Br)ccc3Oc3cnc(Cl)cc32)c2cccnc2O1
InChIInChI=1S/C18H10BrClN4O2/c19-9-3-4-13-11(6-9)18(12-7-15(20)23-8-14(12)25-13)10-2-1-5-22-16(10)26-17(21)24-18/h1-8H,(H2,21,24)
InChIKeySIJNGPGDNDMQKH-UHFFFAOYSA-N
MW429.66 g/mol
LogP4.00
Rot. Bonds

About 7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine

7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine (PubChem CID 86689266) has the molecular formula C18H10BrClN4O2 and a molecular weight of 429.66 g/mol. Its IUPAC name is 7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine.

Molecular Properties

Compound Name7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine
PubChem CID86689266
Molecular FormulaC18H10BrClN4O2
Molecular Weight429.66 g/mol
Exact Mass427.97
IUPAC Name7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine
SMILESNC1=NC2(c3cc(Br)ccc3Oc3cnc(Cl)cc32)c2cccnc2O1
InChIInChI=1S/C18H10BrClN4O2/c19-9-3-4-13-11(6-9)18(12-7-15(20)23-8-14(12)25-13)10-2-1-5-22-16(10)26-17(21)24-18/h1-8H,(H2,21,24)
InChIKeySIJNGPGDNDMQKH-UHFFFAOYSA-N
XLogP4.00
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.66
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine?
The IUPAC name of 7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine (CID 86689266) is 7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine.
What is the SMILES notation for 7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine?
The canonical SMILES for 7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine is NC1=NC2(c3cc(Br)ccc3Oc3cnc(Cl)cc32)c2cccnc2O1.
What is the InChIKey of 7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine?
The InChIKey is SIJNGPGDNDMQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClN4O2/c19-9-3-4-13-11(6-9)18(12-7-15(20)23-8-14(12)25-13)10-2-1-5-22-16(10)26-17(21)24-18/h1-8H,(H2,21,24).
What are the key properties of 7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine?
7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine has a molecular weight of 429.66 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-chlorospiro[chromeno[2,3-c]pyridine-5,4'-pyrido[3,2-e][1,3]oxazine]-2'-amine is sourced from PubChem (CID 86689266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).