2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde

C14H13NO2 — CID 63157778

IUPAC2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C)nc2)cc1C=O
InChIInChI=1S/C14H13NO2/c1-10-3-4-12(8-15-10)11-5-6-14(17-2)13(7-11)9-16/h3-9H,1-2H3
InChIKeyINMLQOUJGFSGFI-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.88
Rot. Bonds3

About 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde

2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde (PubChem CID 63157778) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
PubChem CID63157778
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C)nc2)cc1C=O
InChIInChI=1S/C14H13NO2/c1-10-3-4-12(8-15-10)11-5-6-14(17-2)13(7-11)9-16/h3-9H,1-2H3
InChIKeyINMLQOUJGFSGFI-UHFFFAOYSA-N
XLogP2.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.88
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-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde
CID 126763482
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
CID 66097421
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
2-methoxy-5-(6-methyl-3-pyridinyl)pyrimidine
CID 139550852
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
[2-methoxy-4-(6-methyl-3-pyridinyl)phenyl]methanol
CID 172651536
N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
CID 58902871
2-methoxy-5-(4-methylthiophen-2-yl)benzaldehyde
CID 172650125
5-(3,5-dimethoxyphenyl)-2-methylpyridine
CID 155135020

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde (CID 63157778) is 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde is COc1ccc(-c2ccc(C)nc2)cc1C=O.
What is the InChIKey of 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde?
The InChIKey is INMLQOUJGFSGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-3-4-12(8-15-10)11-5-6-14(17-2)13(7-11)9-16/h3-9H,1-2H3.
What are the key properties of 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde?
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde has a molecular weight of 227.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 63157778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).