6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde

C10H13NO2 — CID 2761008

IUPAC6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde
SMILESCC(C)(C)Oc1cccc(C=O)n1
InChIInChI=1S/C10H13NO2/c1-10(2,3)13-9-6-4-5-8(7-12)11-9/h4-7H,1-3H3
InChIKeyMGCFGUKZOQKUSP-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.07
Rot. Bonds2

About 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde

6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde (PubChem CID 2761008) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde
PubChem CID2761008
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde
SMILESCC(C)(C)Oc1cccc(C=O)n1
InChIInChI=1S/C10H13NO2/c1-10(2,3)13-9-6-4-5-8(7-12)11-9/h4-7H,1-3H3
InChIKeyMGCFGUKZOQKUSP-UHFFFAOYSA-N
XLogP2.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde (CID 2761008) is 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde is CC(C)(C)Oc1cccc(C=O)n1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde?
The InChIKey is MGCFGUKZOQKUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2,3)13-9-6-4-5-8(7-12)11-9/h4-7H,1-3H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde?
6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 2761008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).