5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde

C16H15NO2 — CID 80631745

IUPAC5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1OC/C=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c1-13-10-15(12-18)11-17-16(13)19-9-5-8-14-6-3-2-4-7-14/h2-8,10-12H,9H2,1H3/b8-5+
InChIKeyZPRDYNJYBPJXBJ-VMPITWQZSA-N
MW253.30 g/mol
LogP3.29
Rot. Bonds5

About 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde

5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde (PubChem CID 80631745) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
PubChem CID80631745
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1OC/C=C/c1ccccc1
InChIInChI=1S/C16H15NO2/c1-13-10-15(12-18)11-17-16(13)19-9-5-8-14-6-3-2-4-7-14/h2-8,10-12H,9H2,1H3/b8-5+
InChIKeyZPRDYNJYBPJXBJ-VMPITWQZSA-N
XLogP3.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
CID 80631732
5-methyl-6-prop-2-enoxypyridine-3-carbaldehyde
CID 80631853
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde
CID 80631733
5-chloro-3-fluoro-2-(3-phenylprop-2-enoxy)pyridine
CID 79728422
5-methyl-2-(3-phenylprop-2-enoxy)benzaldehyde
CID 77011403
2-[3,5-dimethyl-4-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 60904917
5-methyl-6-propan-2-yloxypyridine-3-carbaldehyde
CID 55297707
3-chloro-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 76914544
3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 2975320
5-methyl-6-(4,4,4-trifluorobutoxy)pyridine-3-carbaldehyde
CID 82788792
5-iodo-4-(3-phenylprop-2-enoxy)pyrimidine
CID 77124768

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde (CID 80631745) is 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1OC/C=C/c1ccccc1.
What is the InChIKey of 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde?
The InChIKey is ZPRDYNJYBPJXBJ-VMPITWQZSA-N. The full InChI is InChI=1S/C16H15NO2/c1-13-10-15(12-18)11-17-16(13)19-9-5-8-14-6-3-2-4-7-14/h2-8,10-12H,9H2,1H3/b8-5+.
What are the key properties of 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde?
5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde has a molecular weight of 253.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 80631745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).