2-chloro-3-ethyl-4-methylpyridine

C8H10ClN — CID 89372274

IUPAC2-chloro-3-ethyl-4-methylpyridine
SMILESCCc1c(C)ccnc1Cl
InChIInChI=1S/C8H10ClN/c1-3-7-6(2)4-5-10-8(7)9/h4-5H,3H2,1-2H3
InChIKeyQVTYXBZEKBHVHO-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.61
Rot. Bonds1

About 2-chloro-3-ethyl-4-methylpyridine

2-chloro-3-ethyl-4-methylpyridine (PubChem CID 89372274) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 2-chloro-3-ethyl-4-methylpyridine.

Molecular Properties

Compound Name2-chloro-3-ethyl-4-methylpyridine
PubChem CID89372274
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name2-chloro-3-ethyl-4-methylpyridine
SMILESCCc1c(C)ccnc1Cl
InChIInChI=1S/C8H10ClN/c1-3-7-6(2)4-5-10-8(7)9/h4-5H,3H2,1-2H3
InChIKeyQVTYXBZEKBHVHO-UHFFFAOYSA-N
XLogP2.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-4-methylpyridine?
The IUPAC name of 2-chloro-3-ethyl-4-methylpyridine (CID 89372274) is 2-chloro-3-ethyl-4-methylpyridine.
What is the SMILES notation for 2-chloro-3-ethyl-4-methylpyridine?
The canonical SMILES for 2-chloro-3-ethyl-4-methylpyridine is CCc1c(C)ccnc1Cl.
What is the InChIKey of 2-chloro-3-ethyl-4-methylpyridine?
The InChIKey is QVTYXBZEKBHVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-3-7-6(2)4-5-10-8(7)9/h4-5H,3H2,1-2H3.
What are the key properties of 2-chloro-3-ethyl-4-methylpyridine?
2-chloro-3-ethyl-4-methylpyridine has a molecular weight of 155.63 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-4-methylpyridine is sourced from PubChem (CID 89372274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).