2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde

C13H19NO3 — CID 169246548

IUPAC2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde
SMILESCCCCCc1nc(OC)c(C=O)cc1OC
InChIInChI=1S/C13H19NO3/c1-4-5-6-7-11-12(16-2)8-10(9-15)13(14-11)17-3/h8-9H,4-7H2,1-3H3
InChIKeyWJTIZUCXSLAGLL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.64
Rot. Bonds7

About 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde

2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde (PubChem CID 169246548) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde
PubChem CID169246548
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde
SMILESCCCCCc1nc(OC)c(C=O)cc1OC
InChIInChI=1S/C13H19NO3/c1-4-5-6-7-11-12(16-2)8-10(9-15)13(14-11)17-3/h8-9H,4-7H2,1-3H3
InChIKeyWJTIZUCXSLAGLL-UHFFFAOYSA-N
XLogP2.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-4-pentylsulfanylbenzaldehyde
CID 11818038
4-[[4-hexyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylbenzaldehyde
CID 91520278
3-methoxy-5-methyl-4-pentylbenzaldehyde
CID 165123524
2-(3,6-dimethoxy-5-propyl-2-pyridinyl)ethanamine
CID 169246607
2-decyl-3-methoxypyrazine
CID 528301
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
4-(3-fluoropropylsulfanyl)-2,5-dimethoxybenzaldehyde
CID 12063238
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118821393
2-butyl-3-methoxybenzaldehyde
CID 86170278
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(4-formyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxybenzaldehyde
CID 101201557
2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240
3-methoxy-4-pentylpyridine
CID 170214218

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde?
The IUPAC name of 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde (CID 169246548) is 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde?
The canonical SMILES for 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde is CCCCCc1nc(OC)c(C=O)cc1OC.
What is the InChIKey of 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde?
The InChIKey is WJTIZUCXSLAGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-5-6-7-11-12(16-2)8-10(9-15)13(14-11)17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde?
2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde has a molecular weight of 237.30 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-6-pentylpyridine-3-carbaldehyde is sourced from PubChem (CID 169246548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).