6-methoxypyridine-3-carbaldehyde

C7H7NO2 — CID 3364576

IUPAC6-methoxypyridine-3-carbaldehyde
SMILESCOc1ccc(C=O)cn1
InChIInChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)4-8-7/h2-5H,1H3
InChIKeyCTAIEPPAOULMFY-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.90
Rot. Bonds2

About 6-methoxypyridine-3-carbaldehyde

6-methoxypyridine-3-carbaldehyde (PubChem CID 3364576) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 6-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxypyridine-3-carbaldehyde
PubChem CID3364576
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name6-methoxypyridine-3-carbaldehyde
SMILESCOc1ccc(C=O)cn1
InChIInChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)4-8-7/h2-5H,1H3
InChIKeyCTAIEPPAOULMFY-UHFFFAOYSA-N
XLogP0.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.90
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

6-(trideuteriomethoxy)pyridine-3-carbaldehyde
CID 162700504
methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile
CID 162105536
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
2-methoxy-5-[(Z)-2-methoxyethenyl]pyridine
CID 45091043
(E)-4-(6-methoxy-3-pyridinyl)but-3-en-2-one
CID 90890451
2-(6-methoxypyridazin-3-yl)pyrimidine-5-carbaldehyde
CID 103375163
2-methoxy-5-[(Z)-2-nitrosoprop-1-enyl]pyridine
CID 89164549
6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80631360
2-methoxy-5-(2-nitroethenyl)pyridine
CID 67230839
(Z)-3-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 55267756
6-(4-ethylphenoxy)pyridine-3-carbaldehyde
CID 80631614
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205

Frequently Asked Questions

What is the IUPAC name of 6-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-methoxypyridine-3-carbaldehyde (CID 3364576) is 6-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-methoxypyridine-3-carbaldehyde is COc1ccc(C=O)cn1.
What is the InChIKey of 6-methoxypyridine-3-carbaldehyde?
The InChIKey is CTAIEPPAOULMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)4-8-7/h2-5H,1H3.
What are the key properties of 6-methoxypyridine-3-carbaldehyde?
6-methoxypyridine-3-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 3364576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).