2-chloro-3,4-diethylpyridine

C9H12ClN — CID 91256664

IUPAC2-chloro-3,4-diethylpyridine
SMILESCCc1ccnc(Cl)c1CC
InChIInChI=1S/C9H12ClN/c1-3-7-5-6-11-9(10)8(7)4-2/h5-6H,3-4H2,1-2H3
InChIKeyNPMCKBBVDGOURN-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.86
Rot. Bonds2

About 2-chloro-3,4-diethylpyridine

2-chloro-3,4-diethylpyridine (PubChem CID 91256664) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 2-chloro-3,4-diethylpyridine.

Molecular Properties

Compound Name2-chloro-3,4-diethylpyridine
PubChem CID91256664
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name2-chloro-3,4-diethylpyridine
SMILESCCc1ccnc(Cl)c1CC
InChIInChI=1S/C9H12ClN/c1-3-7-5-6-11-9(10)8(7)4-2/h5-6H,3-4H2,1-2H3
InChIKeyNPMCKBBVDGOURN-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.86
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-3,4-diethylpyridine?
The IUPAC name of 2-chloro-3,4-diethylpyridine (CID 91256664) is 2-chloro-3,4-diethylpyridine.
What is the SMILES notation for 2-chloro-3,4-diethylpyridine?
The canonical SMILES for 2-chloro-3,4-diethylpyridine is CCc1ccnc(Cl)c1CC.
What is the InChIKey of 2-chloro-3,4-diethylpyridine?
The InChIKey is NPMCKBBVDGOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-3-7-5-6-11-9(10)8(7)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-chloro-3,4-diethylpyridine?
2-chloro-3,4-diethylpyridine has a molecular weight of 169.66 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4-diethylpyridine is sourced from PubChem (CID 91256664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).