4,5-dimethoxypyridine-2-carbaldehyde;propane

C11H17NO3 — CID 143811555

IUPAC4,5-dimethoxypyridine-2-carbaldehyde;propane
SMILESCCC.COc1cnc(C=O)cc1OC
InChIInChI=1S/C8H9NO3.C3H8/c1-11-7-3-6(5-10)9-4-8(7)12-2;1-3-2/h3-5H,1-2H3;3H2,1-2H3
InChIKeyXVXJJDCHBMFTEM-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.33
Rot. Bonds3

About 4,5-dimethoxypyridine-2-carbaldehyde;propane

4,5-dimethoxypyridine-2-carbaldehyde;propane (PubChem CID 143811555) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4,5-dimethoxypyridine-2-carbaldehyde;propane.

Molecular Properties

Compound Name4,5-dimethoxypyridine-2-carbaldehyde;propane
PubChem CID143811555
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4,5-dimethoxypyridine-2-carbaldehyde;propane
SMILESCCC.COc1cnc(C=O)cc1OC
InChIInChI=1S/C8H9NO3.C3H8/c1-11-7-3-6(5-10)9-4-8(7)12-2;1-3-2/h3-5H,1-2H3;3H2,1-2H3
InChIKeyXVXJJDCHBMFTEM-UHFFFAOYSA-N
XLogP2.33
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde
CID 153331814
5-methoxyisoquinoline-3-carbaldehyde
CID 91262659
4,5-dimethoxypyridine-2-carbaldehyde;(E)-4-(4,5-dimethoxy-2-pyridinyl)but-3-en-2-one;2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one
CID 54233233
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240
(E)-3-(4,5-dimethoxy-2-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one;hydrochloride
CID 18797679
4-chloro-5-(difluoromethoxy)pyridine-2-carbaldehyde
CID 130970189
5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130092580
2-[[4-methoxy-6-(3-oxo-3-phenylprop-1-enyl)-3-pyridinyl]oxy]acetic acid
CID 70306965
4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyridine-2-carbaldehyde
CID 141241668
4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
CID 55040995

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxypyridine-2-carbaldehyde;propane?
The IUPAC name of 4,5-dimethoxypyridine-2-carbaldehyde;propane (CID 143811555) is 4,5-dimethoxypyridine-2-carbaldehyde;propane.
What is the SMILES notation for 4,5-dimethoxypyridine-2-carbaldehyde;propane?
The canonical SMILES for 4,5-dimethoxypyridine-2-carbaldehyde;propane is CCC.COc1cnc(C=O)cc1OC.
What is the InChIKey of 4,5-dimethoxypyridine-2-carbaldehyde;propane?
The InChIKey is XVXJJDCHBMFTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C3H8/c1-11-7-3-6(5-10)9-4-8(7)12-2;1-3-2/h3-5H,1-2H3;3H2,1-2H3.
What are the key properties of 4,5-dimethoxypyridine-2-carbaldehyde;propane?
4,5-dimethoxypyridine-2-carbaldehyde;propane has a molecular weight of 211.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxypyridine-2-carbaldehyde;propane is sourced from PubChem (CID 143811555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).