2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine

C16H25ClN2 — CID 113418493

IUPAC2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine
SMILESCCC1CCN(c2cc(CCl)cc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H25ClN2/c1-5-12-6-7-19(11-12)15-9-13(10-17)8-14(18-15)16(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyVWJLOGWKHMHGCF-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.35
Rot. Bonds3

About 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine

2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine (PubChem CID 113418493) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine
PubChem CID113418493
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine
SMILESCCC1CCN(c2cc(CCl)cc(C(C)(C)C)n2)C1
InChIInChI=1S/C16H25ClN2/c1-5-12-6-7-19(11-12)15-9-13(10-17)8-14(18-15)16(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyVWJLOGWKHMHGCF-UHFFFAOYSA-N
XLogP4.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
1-[6-tert-butyl-4-(chloromethyl)-2-pyridinyl]-2-ethylazepane
CID 104691311
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine
CID 103537257
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
[2-tert-butyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methanol
CID 104959954
6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 113419496
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 80961329
2-[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114799563
ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 170578415
4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine
CID 134171591

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine?
The IUPAC name of 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine (CID 113418493) is 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine is CCC1CCN(c2cc(CCl)cc(C(C)(C)C)n2)C1.
What is the InChIKey of 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine?
The InChIKey is VWJLOGWKHMHGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-5-12-6-7-19(11-12)15-9-13(10-17)8-14(18-15)16(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine?
2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine has a molecular weight of 280.84 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 113418493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).