4-propan-2-ylpyridine-2-carbaldehyde

C9H11NO — CID 87453766

IUPAC4-propan-2-ylpyridine-2-carbaldehyde
SMILESCC(C)c1ccnc(C=O)c1
InChIInChI=1S/C9H11NO/c1-7(2)8-3-4-10-9(5-8)6-11/h3-7H,1-2H3
InChIKeyHWUMMUXMUNZXFQ-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.02
Rot. Bonds2

About 4-propan-2-ylpyridine-2-carbaldehyde

4-propan-2-ylpyridine-2-carbaldehyde (PubChem CID 87453766) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-propan-2-ylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-propan-2-ylpyridine-2-carbaldehyde
PubChem CID87453766
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-propan-2-ylpyridine-2-carbaldehyde
SMILESCC(C)c1ccnc(C=O)c1
InChIInChI=1S/C9H11NO/c1-7(2)8-3-4-10-9(5-8)6-11/h3-7H,1-2H3
InChIKeyHWUMMUXMUNZXFQ-UHFFFAOYSA-N
XLogP2.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.02
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 4-propan-2-ylpyridine-2-carbaldehyde?
The IUPAC name of 4-propan-2-ylpyridine-2-carbaldehyde (CID 87453766) is 4-propan-2-ylpyridine-2-carbaldehyde.
What is the SMILES notation for 4-propan-2-ylpyridine-2-carbaldehyde?
The canonical SMILES for 4-propan-2-ylpyridine-2-carbaldehyde is CC(C)c1ccnc(C=O)c1.
What is the InChIKey of 4-propan-2-ylpyridine-2-carbaldehyde?
The InChIKey is HWUMMUXMUNZXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7(2)8-3-4-10-9(5-8)6-11/h3-7H,1-2H3.
What are the key properties of 4-propan-2-ylpyridine-2-carbaldehyde?
4-propan-2-ylpyridine-2-carbaldehyde has a molecular weight of 149.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyridine-2-carbaldehyde is sourced from PubChem (CID 87453766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).