2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde

C8H8N2O2 — CID 90105679

IUPAC2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde
SMILESO=Cc1cnc2c(c1)NCCO2
InChIInChI=1S/C8H8N2O2/c11-5-6-3-7-8(10-4-6)12-2-1-9-7/h3-5,9H,1-2H2
InChIKeyCBPHLTOHLGOGPA-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.70
Rot. Bonds1

About 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde

2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde (PubChem CID 90105679) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde
PubChem CID90105679
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde
SMILESO=Cc1cnc2c(c1)NCCO2
InChIInChI=1S/C8H8N2O2/c11-5-6-3-7-8(10-4-6)12-2-1-9-7/h3-5,9H,1-2H2
InChIKeyCBPHLTOHLGOGPA-UHFFFAOYSA-N
XLogP0.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde?
The IUPAC name of 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde (CID 90105679) is 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde.
What is the SMILES notation for 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde?
The canonical SMILES for 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde is O=Cc1cnc2c(c1)NCCO2.
What is the InChIKey of 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde?
The InChIKey is CBPHLTOHLGOGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-5-6-3-7-8(10-4-6)12-2-1-9-7/h3-5,9H,1-2H2.
What are the key properties of 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde?
2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde has a molecular weight of 164.16 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine-7-carbaldehyde is sourced from PubChem (CID 90105679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).