6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde

C12H17NO2 — CID 107894824

IUPAC6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde
SMILESCCCC(C)Oc1ccc(C)nc1C=O
InChIInChI=1S/C12H17NO2/c1-4-5-10(3)15-12-7-6-9(2)13-11(12)8-14/h6-8,10H,4-5H2,1-3H3
InChIKeyFMQQNTORDZOMPH-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.77
Rot. Bonds5

About 6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde

6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde (PubChem CID 107894824) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde
PubChem CID107894824
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde
SMILESCCCC(C)Oc1ccc(C)nc1C=O
InChIInChI=1S/C12H17NO2/c1-4-5-10(3)15-12-7-6-9(2)13-11(12)8-14/h6-8,10H,4-5H2,1-3H3
InChIKeyFMQQNTORDZOMPH-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.77
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-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde (CID 107894824) is 6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde is CCCC(C)Oc1ccc(C)nc1C=O.
What is the InChIKey of 6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde?
The InChIKey is FMQQNTORDZOMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-5-10(3)15-12-7-6-9(2)13-11(12)8-14/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde?
6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde has a molecular weight of 207.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde is sourced from PubChem (CID 107894824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).