4-(3-methylbutyl)pyridine-3-carbaldehyde

C11H15NO — CID 82410364

IUPAC4-(3-methylbutyl)pyridine-3-carbaldehyde
SMILESCC(C)CCc1ccncc1C=O
InChIInChI=1S/C11H15NO/c1-9(2)3-4-10-5-6-12-7-11(10)8-13/h5-9H,3-4H2,1-2H3
InChIKeyAYMJDMWTEPNKHV-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.48
Rot. Bonds4

About 4-(3-methylbutyl)pyridine-3-carbaldehyde

4-(3-methylbutyl)pyridine-3-carbaldehyde (PubChem CID 82410364) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(3-methylbutyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(3-methylbutyl)pyridine-3-carbaldehyde
PubChem CID82410364
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-(3-methylbutyl)pyridine-3-carbaldehyde
SMILESCC(C)CCc1ccncc1C=O
InChIInChI=1S/C11H15NO/c1-9(2)3-4-10-5-6-12-7-11(10)8-13/h5-9H,3-4H2,1-2H3
InChIKeyAYMJDMWTEPNKHV-UHFFFAOYSA-N
XLogP2.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-but-3-enylpyridine-3-carbaldehyde
CID 53309054
4-prop-2-enylpyridine-3-carbaldehyde
CID 11309589
4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde
CID 96603971
4-methylsulfanylpyridine-3-carbaldehyde
CID 12956352
4-[(1Z)-buta-1,3-dienyl]-3-(3-methylbutyl)pyridine
CID 126703741
4-[(3-formyl-4-pyridinyl)methyl]benzonitrile
CID 12017383
3-[(4-propan-2-ylphenyl)methyl]pyridine-4-carbaldehyde
CID 96592105
4-(4-methylphenyl)pyridine-3-carbaldehyde
CID 10878098
3-[2-(3-methylbutyl)phenyl]pyridine
CID 159924713
4-[2-(3-methylbutyl)phenyl]pyridine
CID 159210275
3-trimethylstannylpyridine-4-carbaldehyde
CID 10378405
1-(3-fluoro-4-pyridinyl)-4-methylpentan-3-ol
CID 104739077

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(3-methylbutyl)pyridine-3-carbaldehyde (CID 82410364) is 4-(3-methylbutyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(3-methylbutyl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(3-methylbutyl)pyridine-3-carbaldehyde is CC(C)CCc1ccncc1C=O.
What is the InChIKey of 4-(3-methylbutyl)pyridine-3-carbaldehyde?
The InChIKey is AYMJDMWTEPNKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)3-4-10-5-6-12-7-11(10)8-13/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)pyridine-3-carbaldehyde?
4-(3-methylbutyl)pyridine-3-carbaldehyde has a molecular weight of 177.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 82410364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).