methanol;1-methoxypyridin-1-ium-3-carbaldehyde

C8H12NO3+ — CID 143966737

IUPACmethanol;1-methoxypyridin-1-ium-3-carbaldehyde
SMILESCO.CO[n+]1cccc(C=O)c1
InChIInChI=1S/C7H8NO2.CH4O/c1-10-8-4-2-3-7(5-8)6-9;1-2/h2-6H,1H3;2H,1H3/q+1;
InChIKeyMPLZWMDDPBWGPP-UHFFFAOYSA-N
MW170.19 g/mol
LogP-0.55
Rot. Bonds2

About methanol;1-methoxypyridin-1-ium-3-carbaldehyde

methanol;1-methoxypyridin-1-ium-3-carbaldehyde (PubChem CID 143966737) has the molecular formula C8H12NO3+ and a molecular weight of 170.19 g/mol. Its IUPAC name is methanol;1-methoxypyridin-1-ium-3-carbaldehyde.

Molecular Properties

Compound Namemethanol;1-methoxypyridin-1-ium-3-carbaldehyde
PubChem CID143966737
Molecular FormulaC8H12NO3+
Molecular Weight170.19 g/mol
Exact Mass170.08
IUPAC Namemethanol;1-methoxypyridin-1-ium-3-carbaldehyde
SMILESCO.CO[n+]1cccc(C=O)c1
InChIInChI=1S/C7H8NO2.CH4O/c1-10-8-4-2-3-7(5-8)6-9;1-2/h2-6H,1H3;2H,1H3/q+1;
InChIKeyMPLZWMDDPBWGPP-UHFFFAOYSA-N
XLogP-0.55
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methanol;1-methoxypyridin-1-ium-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzaldehyde;ethane;methanol
CID 143448374
1-propylpyridin-1-ium-3-carbaldehyde
CID 19897042
1-methoxy-3-methylpyridin-1-ium;methyl sulfate
CID 22168441
benzaldehyde;N-methoxy-N-methylmethanamine
CID 145337706
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
benzaldehyde;4-methoxyaniline
CID 159915454
[2-(3-formylpyridin-1-ium-1-yl)-1-phosphonoethyl]phosphonic acid
CID 11529476
benzaldehyde;ethane
CID 54495732
benzaldehyde;dimethyl hydrogen phosphate
CID 174541999
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
azanide;benzaldehyde;benzylideneazanide;ethane;methoxymethane;bis(yttrium)
CID 158590023

Frequently Asked Questions

What is the IUPAC name of methanol;1-methoxypyridin-1-ium-3-carbaldehyde?
The IUPAC name of methanol;1-methoxypyridin-1-ium-3-carbaldehyde (CID 143966737) is methanol;1-methoxypyridin-1-ium-3-carbaldehyde.
What is the SMILES notation for methanol;1-methoxypyridin-1-ium-3-carbaldehyde?
The canonical SMILES for methanol;1-methoxypyridin-1-ium-3-carbaldehyde is CO.CO[n+]1cccc(C=O)c1.
What is the InChIKey of methanol;1-methoxypyridin-1-ium-3-carbaldehyde?
The InChIKey is MPLZWMDDPBWGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO2.CH4O/c1-10-8-4-2-3-7(5-8)6-9;1-2/h2-6H,1H3;2H,1H3/q+1;.
What are the key properties of methanol;1-methoxypyridin-1-ium-3-carbaldehyde?
methanol;1-methoxypyridin-1-ium-3-carbaldehyde has a molecular weight of 170.19 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methoxypyridin-1-ium-3-carbaldehyde is sourced from PubChem (CID 143966737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).