2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde

C8H6N2O2 — CID 87868996

IUPAC2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
SMILESO=Cc1ccc2c(n1)N=CCO2
InChIInChI=1S/C8H6N2O2/c11-5-6-1-2-7-8(10-6)9-3-4-12-7/h1-3,5H,4H2
InChIKeyKBUKVNCANNQFCI-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.99
Rot. Bonds1

About 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde

2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde (PubChem CID 87868996) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde.

Molecular Properties

Compound Name2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
PubChem CID87868996
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
SMILESO=Cc1ccc2c(n1)N=CCO2
InChIInChI=1S/C8H6N2O2/c11-5-6-1-2-7-8(10-6)9-3-4-12-7/h1-3,5H,4H2
InChIKeyKBUKVNCANNQFCI-UHFFFAOYSA-N
XLogP0.99
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.99
H-Bond Donors ≤ 50
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 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
The IUPAC name of 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde (CID 87868996) is 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde.
What is the SMILES notation for 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
The canonical SMILES for 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde is O=Cc1ccc2c(n1)N=CCO2.
What is the InChIKey of 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
The InChIKey is KBUKVNCANNQFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-5-6-1-2-7-8(10-6)9-3-4-12-7/h1-3,5H,4H2.
What are the key properties of 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde?
2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde has a molecular weight of 162.15 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde is sourced from PubChem (CID 87868996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).