2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine

C14H20ClN — CID 79738882

IUPAC2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine
SMILESCCc1ccc(CCCC(Cl)C2CC2)nc1
InChIInChI=1S/C14H20ClN/c1-2-11-6-9-13(16-10-11)4-3-5-14(15)12-7-8-12/h6,9-10,12,14H,2-5,7-8H2,1H3
InChIKeyPXYOOTIKRKWSGC-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.98
Rot. Bonds6

About 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine

2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine (PubChem CID 79738882) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine.

Molecular Properties

Compound Name2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine
PubChem CID79738882
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine
SMILESCCc1ccc(CCCC(Cl)C2CC2)nc1
InChIInChI=1S/C14H20ClN/c1-2-11-6-9-13(16-10-11)4-3-5-14(15)12-7-8-12/h6,9-10,12,14H,2-5,7-8H2,1H3
InChIKeyPXYOOTIKRKWSGC-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.98
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

5-(5-ethyl-2-pyridinyl)-N-methylpentan-2-amine
CID 79737887
6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79737589
N-ethyl-6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79738784
4-(5-ethyl-2-pyridinyl)butan-1-ol
CID 79737697
N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine
CID 79738785
3-(4-chloro-4-cyclopropylbutyl)-1-propan-2-ylpyrazole
CID 64801928
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
CID 103013956
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
2-(5-ethyl-2-pyridinyl)-1-(4-propylcyclohexyl)ethanamine
CID 79747695
1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865
5-ethyl-2-[2-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]ethyl]pyridine
CID 125487494
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine?
The IUPAC name of 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine (CID 79738882) is 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine.
What is the SMILES notation for 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine?
The canonical SMILES for 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine is CCc1ccc(CCCC(Cl)C2CC2)nc1.
What is the InChIKey of 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine?
The InChIKey is PXYOOTIKRKWSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-2-11-6-9-13(16-10-11)4-3-5-14(15)12-7-8-12/h6,9-10,12,14H,2-5,7-8H2,1H3.
What are the key properties of 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine?
2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine has a molecular weight of 237.77 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine is sourced from PubChem (CID 79738882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).