3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine

C14H21ClN2 — CID 61255936

IUPAC3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine
SMILESCCC1CCCN1c1nc(C)cc(C)c1CCl
InChIInChI=1S/C14H21ClN2/c1-4-12-6-5-7-17(12)14-13(9-15)10(2)8-11(3)16-14/h8,12H,4-7,9H2,1-3H3
InChIKeyHSDYXDPIBZTEDK-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.82
Rot. Bonds3

About 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine

3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine (PubChem CID 61255936) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine
PubChem CID61255936
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine
SMILESCCC1CCCN1c1nc(C)cc(C)c1CCl
InChIInChI=1S/C14H21ClN2/c1-4-12-6-5-7-17(12)14-13(9-15)10(2)8-11(3)16-14/h8,12H,4-7,9H2,1-3H3
InChIKeyHSDYXDPIBZTEDK-UHFFFAOYSA-N
XLogP3.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.82
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

[2-(2-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61254337
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62281278
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62281276
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
3-(chloromethyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,6-dimethylpyridine
CID 83220560
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 61424002
1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889389
3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
CID 61256984
2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 79075237
[4,6-dimethyl-2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 61177074
3-(chloromethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine
CID 106588358
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 63445545

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine?
The IUPAC name of 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine (CID 61255936) is 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine is CCC1CCCN1c1nc(C)cc(C)c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine?
The InChIKey is HSDYXDPIBZTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-4-12-6-5-7-17(12)14-13(9-15)10(2)8-11(3)16-14/h8,12H,4-7,9H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine?
3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine has a molecular weight of 252.79 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine is sourced from PubChem (CID 61255936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).