3-(1-chloropropyl)-2-ethylpyridine

C10H14ClN — CID 138471513

IUPAC3-(1-chloropropyl)-2-ethylpyridine
SMILESCCc1ncccc1C(Cl)CC
InChIInChI=1S/C10H14ClN/c1-3-9(11)8-6-5-7-12-10(8)4-2/h5-7,9H,3-4H2,1-2H3
InChIKeyQQONLGOENWXSBA-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.33
Rot. Bonds3

About 3-(1-chloropropyl)-2-ethylpyridine

3-(1-chloropropyl)-2-ethylpyridine (PubChem CID 138471513) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-(1-chloropropyl)-2-ethylpyridine.

Molecular Properties

Compound Name3-(1-chloropropyl)-2-ethylpyridine
PubChem CID138471513
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-(1-chloropropyl)-2-ethylpyridine
SMILESCCc1ncccc1C(Cl)CC
InChIInChI=1S/C10H14ClN/c1-3-9(11)8-6-5-7-12-10(8)4-2/h5-7,9H,3-4H2,1-2H3
InChIKeyQQONLGOENWXSBA-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-diethylpyridine
CID 14747123
3-(chloromethyl)-2-ethylpyridine;hydrochloride
CID 142546922
3-(1-chloroethyl)-2-(2,2-difluoroethyl)pyridine
CID 138472175
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
(1S)-1-(2-fluoro-3-pyridinyl)propan-1-ol
CID 130786152
3-(2-chlorophenyl)-2-ethylpyridine
CID 118357808
3-tert-butyl-2-ethylpyridine
CID 20664467
2-ethyl-3-isocyanopyridine
CID 157404495
ethane;2-ethyl-3-methoxypyridine
CID 144504427
3-(3,5-dichlorophenyl)-2-ethylpyridine
CID 118357675
2-ethyl-3-(methoxymethoxy)pyridine
CID 20598170
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-2-ethylpyridine?
The IUPAC name of 3-(1-chloropropyl)-2-ethylpyridine (CID 138471513) is 3-(1-chloropropyl)-2-ethylpyridine.
What is the SMILES notation for 3-(1-chloropropyl)-2-ethylpyridine?
The canonical SMILES for 3-(1-chloropropyl)-2-ethylpyridine is CCc1ncccc1C(Cl)CC.
What is the InChIKey of 3-(1-chloropropyl)-2-ethylpyridine?
The InChIKey is QQONLGOENWXSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-9(11)8-6-5-7-12-10(8)4-2/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 3-(1-chloropropyl)-2-ethylpyridine?
3-(1-chloropropyl)-2-ethylpyridine has a molecular weight of 183.68 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-2-ethylpyridine is sourced from PubChem (CID 138471513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).