5-(chloromethyl)-4-ethyl-2-methylpyridine

C9H12ClN — CID 168797453

IUPAC5-(chloromethyl)-4-ethyl-2-methylpyridine
SMILESCCc1cc(C)ncc1CCl
InChIInChI=1S/C9H12ClN/c1-3-8-4-7(2)11-6-9(8)5-10/h4,6H,3,5H2,1-2H3
InChIKeyDXIQGNBDABXTNQ-UHFFFAOYSA-N
MW169.65 g/mol
LogP2.69
Rot. Bonds2

About 5-(chloromethyl)-4-ethyl-2-methylpyridine

5-(chloromethyl)-4-ethyl-2-methylpyridine (PubChem CID 168797453) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 5-(chloromethyl)-4-ethyl-2-methylpyridine.

Molecular Properties

Compound Name5-(chloromethyl)-4-ethyl-2-methylpyridine
PubChem CID168797453
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name5-(chloromethyl)-4-ethyl-2-methylpyridine
SMILESCCc1cc(C)ncc1CCl
InChIInChI=1S/C9H12ClN/c1-3-8-4-7(2)11-6-9(8)5-10/h4,6H,3,5H2,1-2H3
InChIKeyDXIQGNBDABXTNQ-UHFFFAOYSA-N
XLogP2.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-ethyl-2-methylpyridine?
The IUPAC name of 5-(chloromethyl)-4-ethyl-2-methylpyridine (CID 168797453) is 5-(chloromethyl)-4-ethyl-2-methylpyridine.
What is the SMILES notation for 5-(chloromethyl)-4-ethyl-2-methylpyridine?
The canonical SMILES for 5-(chloromethyl)-4-ethyl-2-methylpyridine is CCc1cc(C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-ethyl-2-methylpyridine?
The InChIKey is DXIQGNBDABXTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-3-8-4-7(2)11-6-9(8)5-10/h4,6H,3,5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-ethyl-2-methylpyridine?
5-(chloromethyl)-4-ethyl-2-methylpyridine has a molecular weight of 169.65 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-ethyl-2-methylpyridine is sourced from PubChem (CID 168797453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).