3-methyl-4-pyridin-2-ylbenzaldehyde

C13H11NO — CID 24899762

IUPAC3-methyl-4-pyridin-2-ylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1ccccn1
InChIInChI=1S/C13H11NO/c1-10-8-11(9-15)5-6-12(10)13-4-2-3-7-14-13/h2-9H,1H3
InChIKeyCTZZJVLEBHBDKW-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.87
Rot. Bonds2

About 3-methyl-4-pyridin-2-ylbenzaldehyde

3-methyl-4-pyridin-2-ylbenzaldehyde (PubChem CID 24899762) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-methyl-4-pyridin-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-methyl-4-pyridin-2-ylbenzaldehyde
PubChem CID24899762
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name3-methyl-4-pyridin-2-ylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1ccccn1
InChIInChI=1S/C13H11NO/c1-10-8-11(9-15)5-6-12(10)13-4-2-3-7-14-13/h2-9H,1H3
InChIKeyCTZZJVLEBHBDKW-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
(5-formyl-2-pyridin-2-ylphenyl) acetate
CID 132544858
2-(2-methylphenyl)pyridine
CID 144596153
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012
3-methyl-4-quinolin-3-ylbenzaldehyde
CID 81447397
2-(4,5-difluoro-2-methylphenyl)pyridine;ethane
CID 145481986
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
4-(4-chloronaphthalen-1-yl)-3-methylbenzaldehyde
CID 81448180
4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde
CID 59800933
4-[2-(2-pyridin-2-yl-4-pyridinyl)ethenyl]benzaldehyde
CID 54562489
2-pyridin-2-yl-3H-benzimidazole-5-carbaldehyde
CID 84756492

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pyridin-2-ylbenzaldehyde?
The IUPAC name of 3-methyl-4-pyridin-2-ylbenzaldehyde (CID 24899762) is 3-methyl-4-pyridin-2-ylbenzaldehyde.
What is the SMILES notation for 3-methyl-4-pyridin-2-ylbenzaldehyde?
The canonical SMILES for 3-methyl-4-pyridin-2-ylbenzaldehyde is Cc1cc(C=O)ccc1-c1ccccn1.
What is the InChIKey of 3-methyl-4-pyridin-2-ylbenzaldehyde?
The InChIKey is CTZZJVLEBHBDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-10-8-11(9-15)5-6-12(10)13-4-2-3-7-14-13/h2-9H,1H3.
What are the key properties of 3-methyl-4-pyridin-2-ylbenzaldehyde?
3-methyl-4-pyridin-2-ylbenzaldehyde has a molecular weight of 197.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pyridin-2-ylbenzaldehyde is sourced from PubChem (CID 24899762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).