2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde

C8H8ClNO — CID 83873955

IUPAC2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde
SMILESCc1cc(CC=O)ncc1Cl
InChIInChI=1S/C8H8ClNO/c1-6-4-7(2-3-11)10-5-8(6)9/h3-5H,2H2,1H3
InChIKeyUDBCYUJROXUDFK-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.78
Rot. Bonds2

About 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde

2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde (PubChem CID 83873955) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde
PubChem CID83873955
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde
SMILESCc1cc(CC=O)ncc1Cl
InChIInChI=1S/C8H8ClNO/c1-6-4-7(2-3-11)10-5-8(6)9/h3-5H,2H2,1H3
InChIKeyUDBCYUJROXUDFK-UHFFFAOYSA-N
XLogP1.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.78
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 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde?
The IUPAC name of 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde (CID 83873955) is 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde?
The canonical SMILES for 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde is Cc1cc(CC=O)ncc1Cl.
What is the InChIKey of 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde?
The InChIKey is UDBCYUJROXUDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-6-4-7(2-3-11)10-5-8(6)9/h3-5H,2H2,1H3.
What are the key properties of 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde?
2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde has a molecular weight of 169.61 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methyl-2-pyridinyl)acetaldehyde is sourced from PubChem (CID 83873955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).