3-(methoxymethyl)pyridine-2-carbaldehyde

C8H9NO2 — CID 87637871

IUPAC3-(methoxymethyl)pyridine-2-carbaldehyde
SMILESCOCc1cccnc1C=O
InChIInChI=1S/C8H9NO2/c1-11-6-7-3-2-4-9-8(7)5-10/h2-5H,6H2,1H3
InChIKeyWHTSFJHQKQYCOU-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.04
Rot. Bonds3

About 3-(methoxymethyl)pyridine-2-carbaldehyde

3-(methoxymethyl)pyridine-2-carbaldehyde (PubChem CID 87637871) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(methoxymethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(methoxymethyl)pyridine-2-carbaldehyde
PubChem CID87637871
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-(methoxymethyl)pyridine-2-carbaldehyde
SMILESCOCc1cccnc1C=O
InChIInChI=1S/C8H9NO2/c1-11-6-7-3-2-4-9-8(7)5-10/h2-5H,6H2,1H3
InChIKeyWHTSFJHQKQYCOU-UHFFFAOYSA-N
XLogP1.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.04
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

3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
2-(2-formyl-3-pyridinyl)acetonitrile
CID 123918433
2-bromo-3-(methoxymethyl)pyridine;ethane
CID 144882027
3-(methoxymethyl)quinoline-2-carbaldehyde
CID 11816500
N-[3-(2-formyl-3-pyridinyl)propyl]methanesulfonamide
CID 141350629
3-trimethylstannylpyridine-2-carbaldehyde
CID 10355745
3-butoxypyridine-2-carbaldehyde
CID 86631140
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
2-(4-chlorophenyl)-3-(methoxymethyl)pyridine
CID 59165700
(2-formyl-3-pyridinyl) hypoiodite
CID 87756463
4-[3-(methoxymethyl)-2-pyridinyl]benzoic acid
CID 59165723

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-(methoxymethyl)pyridine-2-carbaldehyde (CID 87637871) is 3-(methoxymethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(methoxymethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(methoxymethyl)pyridine-2-carbaldehyde is COCc1cccnc1C=O.
What is the InChIKey of 3-(methoxymethyl)pyridine-2-carbaldehyde?
The InChIKey is WHTSFJHQKQYCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-11-6-7-3-2-4-9-8(7)5-10/h2-5H,6H2,1H3.
What are the key properties of 3-(methoxymethyl)pyridine-2-carbaldehyde?
3-(methoxymethyl)pyridine-2-carbaldehyde has a molecular weight of 151.16 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 87637871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).