2-methyl-5-propan-2-ylpyridine-3-carbaldehyde

C10H13NO — CID 83914317

IUPAC2-methyl-5-propan-2-ylpyridine-3-carbaldehyde
SMILESCc1ncc(C(C)C)cc1C=O
InChIInChI=1S/C10H13NO/c1-7(2)9-4-10(6-12)8(3)11-5-9/h4-7H,1-3H3
InChIKeyYNULRGBIBMTSPZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.33
Rot. Bonds2

About 2-methyl-5-propan-2-ylpyridine-3-carbaldehyde

2-methyl-5-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 83914317) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylpyridine-3-carbaldehyde
PubChem CID83914317
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-5-propan-2-ylpyridine-3-carbaldehyde
SMILESCc1ncc(C(C)C)cc1C=O
InChIInChI=1S/C10H13NO/c1-7(2)9-4-10(6-12)8(3)11-5-9/h4-7H,1-3H3
InChIKeyYNULRGBIBMTSPZ-UHFFFAOYSA-N
XLogP2.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-5-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-5-propan-2-ylpyridine-3-carbaldehyde (CID 83914317) is 2-methyl-5-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-5-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-5-propan-2-ylpyridine-3-carbaldehyde is Cc1ncc(C(C)C)cc1C=O.
What is the InChIKey of 2-methyl-5-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is YNULRGBIBMTSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7(2)9-4-10(6-12)8(3)11-5-9/h4-7H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-ylpyridine-3-carbaldehyde?
2-methyl-5-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 83914317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).