3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde

C8H6N2O2 — CID 63773432

IUPAC3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde
SMILESCc1noc2ncc(C=O)cc12
InChIInChI=1S/C8H6N2O2/c1-5-7-2-6(4-11)3-9-8(7)12-10-5/h2-4H,1H3
InChIKeyQTFVKXSSLLKEOX-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.34
Rot. Bonds1

About 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde

3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde (PubChem CID 63773432) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde
PubChem CID63773432
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde
SMILESCc1noc2ncc(C=O)cc12
InChIInChI=1S/C8H6N2O2/c1-5-7-2-6(4-11)3-9-8(7)12-10-5/h2-4H,1H3
InChIKeyQTFVKXSSLLKEOX-UHFFFAOYSA-N
XLogP1.34
TPSA55.99 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 ≤ 51.34
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 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde (CID 63773432) is 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde is Cc1noc2ncc(C=O)cc12.
What is the InChIKey of 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde?
The InChIKey is QTFVKXSSLLKEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-5-7-2-6(4-11)3-9-8(7)12-10-5/h2-4H,1H3.
What are the key properties of 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde?
3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde has a molecular weight of 162.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 63773432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).