5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde

C14H13NO2 — CID 63324438

IUPAC5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
SMILESCc1ccc(OCc2cccnc2)c(C=O)c1
InChIInChI=1S/C14H13NO2/c1-11-4-5-14(13(7-11)9-16)17-10-12-3-2-6-15-8-12/h2-9H,10H2,1H3
InChIKeyBENNPBSTVAJYLL-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.78
Rot. Bonds4

About 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde

5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde (PubChem CID 63324438) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
PubChem CID63324438
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
SMILESCc1ccc(OCc2cccnc2)c(C=O)c1
InChIInChI=1S/C14H13NO2/c1-11-4-5-14(13(7-11)9-16)17-10-12-3-2-6-15-8-12/h2-9H,10H2,1H3
InChIKeyBENNPBSTVAJYLL-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.78
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

5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
N-methyl-1-[5-methyl-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 63323196
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 16770145
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde?
The IUPAC name of 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde (CID 63324438) is 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde is Cc1ccc(OCc2cccnc2)c(C=O)c1.
What is the InChIKey of 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde?
The InChIKey is BENNPBSTVAJYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11-4-5-14(13(7-11)9-16)17-10-12-3-2-6-15-8-12/h2-9H,10H2,1H3.
What are the key properties of 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde?
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 63324438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).