3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde

C15H15NO — CID 121300992

IUPAC3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde
SMILESCc1ccnc(CCc2cccc(C=O)c2)c1
InChIInChI=1S/C15H15NO/c1-12-7-8-16-15(9-12)6-5-13-3-2-4-14(10-13)11-17/h2-4,7-11H,5-6H2,1H3
InChIKeyJOFDPKOQKUIAKG-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.99
Rot. Bonds4

About 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde

3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde (PubChem CID 121300992) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde.

Molecular Properties

Compound Name3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde
PubChem CID121300992
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde
SMILESCc1ccnc(CCc2cccc(C=O)c2)c1
InChIInChI=1S/C15H15NO/c1-12-7-8-16-15(9-12)6-5-13-3-2-4-14(10-13)11-17/h2-4,7-11H,5-6H2,1H3
InChIKeyJOFDPKOQKUIAKG-UHFFFAOYSA-N
XLogP2.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.99
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

3-(3-oxobutyl)benzaldehyde
CID 11137650
3-(2-oxoethyl)benzaldehyde
CID 54321672
3-(4-methylpentyl)benzaldehyde
CID 139685907
3-[2-(3,5-dipropylphenyl)ethyl]benzaldehyde;[3-[2-(3,5-dipropylphenyl)ethyl]phenyl]methanol
CID 157231949
4-methyl-2-[(E)-pent-3-enyl]pyridine
CID 19593487
3-(methylaminomethyl)benzaldehyde
CID 20724862
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
N-ethylethanamine;2-(4-methyl-2-pyridinyl)ethanol
CID 18799998
1,1-diethoxyethane;ethene;3-(2-pyridin-3-ylethyl)benzaldehyde
CID 88650579
3-(ethylaminomethyl)benzaldehyde
CID 90105279
3-[2-(4-methylpiperazin-1-yl)ethyl]benzaldehyde
CID 153054255
5-(4-methyl-2-pyridinyl)pentan-2-one
CID 15654481

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde?
The IUPAC name of 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde (CID 121300992) is 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde.
What is the SMILES notation for 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde?
The canonical SMILES for 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde is Cc1ccnc(CCc2cccc(C=O)c2)c1.
What is the InChIKey of 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde?
The InChIKey is JOFDPKOQKUIAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-7-8-16-15(9-12)6-5-13-3-2-4-14(10-13)11-17/h2-4,7-11H,5-6H2,1H3.
What are the key properties of 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde?
3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde has a molecular weight of 225.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde is sourced from PubChem (CID 121300992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).