5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde

C15H14ClNO — CID 79739852

IUPAC5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
SMILESCCc1ccc(Cc2ccc(Cl)cc2C=O)nc1
InChIInChI=1S/C15H14ClNO/c1-2-11-3-6-15(17-9-11)8-12-4-5-14(16)7-13(12)10-18/h3-7,9-10H,2,8H2,1H3
InChIKeyUKYBKUDTJUOXIQ-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.70
Rot. Bonds4

About 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde

5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde (PubChem CID 79739852) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
PubChem CID79739852
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
SMILESCCc1ccc(Cc2ccc(Cl)cc2C=O)nc1
InChIInChI=1S/C15H14ClNO/c1-2-11-3-6-15(17-9-11)8-12-4-5-14(16)7-13(12)10-18/h3-7,9-10H,2,8H2,1H3
InChIKeyUKYBKUDTJUOXIQ-UHFFFAOYSA-N
XLogP3.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde?
The IUPAC name of 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde (CID 79739852) is 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde?
The canonical SMILES for 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde is CCc1ccc(Cc2ccc(Cl)cc2C=O)nc1.
What is the InChIKey of 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde?
The InChIKey is UKYBKUDTJUOXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-2-11-3-6-15(17-9-11)8-12-4-5-14(16)7-13(12)10-18/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde?
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde has a molecular weight of 259.74 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde is sourced from PubChem (CID 79739852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).