3-(chloromethyl)-2,4-diethylpyridine

C10H14ClN — CID 168797457

IUPAC3-(chloromethyl)-2,4-diethylpyridine
SMILESCCc1ccnc(CC)c1CCl
InChIInChI=1S/C10H14ClN/c1-3-8-5-6-12-10(4-2)9(8)7-11/h5-6H,3-4,7H2,1-2H3
InChIKeyRFYOCHQUYGPRPE-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.95
Rot. Bonds3

About 3-(chloromethyl)-2,4-diethylpyridine

3-(chloromethyl)-2,4-diethylpyridine (PubChem CID 168797457) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-(chloromethyl)-2,4-diethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2,4-diethylpyridine
PubChem CID168797457
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-(chloromethyl)-2,4-diethylpyridine
SMILESCCc1ccnc(CC)c1CCl
InChIInChI=1S/C10H14ClN/c1-3-8-5-6-12-10(4-2)9(8)7-11/h5-6H,3-4,7H2,1-2H3
InChIKeyRFYOCHQUYGPRPE-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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

(2,4-diethyl-3-pyridinyl)methanol
CID 59589353
2-chloro-3,4-diethylpyridine
CID 91256664
2-decyl-3,4-diethylpyridine
CID 150975827
3-(chloromethyl)-2-ethylpyridine;hydrochloride
CID 142546922
2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid
CID 159116546
2,3-diethylpyridine
CID 14747123
2,4-diethylpyridine-3-carboxamide;hydrochloride
CID 69129462
2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
CID 84764251
azane;2,3-diethyl-4-(trifluoromethyl)pyridine
CID 174607382
3,4-diethylpyridine-2-carbonitrile
CID 139882541
dichloro-[2-(chloromethyl)-3-ethylphenyl]-methylsilane
CID 67799745
3-ethyl-2-(iodomethyl)pyridine
CID 166542162

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,4-diethylpyridine?
The IUPAC name of 3-(chloromethyl)-2,4-diethylpyridine (CID 168797457) is 3-(chloromethyl)-2,4-diethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2,4-diethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2,4-diethylpyridine is CCc1ccnc(CC)c1CCl.
What is the InChIKey of 3-(chloromethyl)-2,4-diethylpyridine?
The InChIKey is RFYOCHQUYGPRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-8-5-6-12-10(4-2)9(8)7-11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2,4-diethylpyridine?
3-(chloromethyl)-2,4-diethylpyridine has a molecular weight of 183.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,4-diethylpyridine is sourced from PubChem (CID 168797457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).