3-(2-methoxyphenyl)pyridine-2-carbaldehyde

C13H11NO2 — CID 86594750

IUPAC3-(2-methoxyphenyl)pyridine-2-carbaldehyde
SMILESCOc1ccccc1-c1cccnc1C=O
InChIInChI=1S/C13H11NO2/c1-16-13-7-3-2-5-11(13)10-6-4-8-14-12(10)9-15/h2-9H,1H3
InChIKeyPUSCGTBVCHAPAW-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.57
Rot. Bonds3

About 3-(2-methoxyphenyl)pyridine-2-carbaldehyde

3-(2-methoxyphenyl)pyridine-2-carbaldehyde (PubChem CID 86594750) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-methoxyphenyl)pyridine-2-carbaldehyde
PubChem CID86594750
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name3-(2-methoxyphenyl)pyridine-2-carbaldehyde
SMILESCOc1ccccc1-c1cccnc1C=O
InChIInChI=1S/C13H11NO2/c1-16-13-7-3-2-5-11(13)10-6-4-8-14-12(10)9-15/h2-9H,1H3
InChIKeyPUSCGTBVCHAPAW-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.57
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-(2-aminophenyl)pyridine-2-carbaldehyde
CID 87624659
3-(2-phenylphenyl)pyridine-2-carbaldehyde
CID 87513026
5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde
CID 83910426
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
(2-formyl-3-pyridinyl) hypoiodite
CID 87756463
2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde
CID 83918138
4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977
3-(methoxymethyl)pyridine-2-carbaldehyde
CID 87637871
5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82127138
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
5-(2-methoxyphenyl)-1,2-thiazole-4-carbaldehyde
CID 83822098
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)pyridine-2-carbaldehyde?
The IUPAC name of 3-(2-methoxyphenyl)pyridine-2-carbaldehyde (CID 86594750) is 3-(2-methoxyphenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(2-methoxyphenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(2-methoxyphenyl)pyridine-2-carbaldehyde is COc1ccccc1-c1cccnc1C=O.
What is the InChIKey of 3-(2-methoxyphenyl)pyridine-2-carbaldehyde?
The InChIKey is PUSCGTBVCHAPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-16-13-7-3-2-5-11(13)10-6-4-8-14-12(10)9-15/h2-9H,1H3.
What are the key properties of 3-(2-methoxyphenyl)pyridine-2-carbaldehyde?
3-(2-methoxyphenyl)pyridine-2-carbaldehyde has a molecular weight of 213.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 86594750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).