4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine

C12H16ClNO — CID 114823994

IUPAC4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine
SMILESCC1CC(C(Cl)Cc2ccncc2)CO1
InChIInChI=1S/C12H16ClNO/c1-9-6-11(8-15-9)12(13)7-10-2-4-14-5-3-10/h2-5,9,11-12H,6-8H2,1H3
InChIKeyLJKFAQNOJJUGMD-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.66
Rot. Bonds3

About 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine

4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine (PubChem CID 114823994) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine
PubChem CID114823994
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine
SMILESCC1CC(C(Cl)Cc2ccncc2)CO1
InChIInChI=1S/C12H16ClNO/c1-9-6-11(8-15-9)12(13)7-10-2-4-14-5-3-10/h2-5,9,11-12H,6-8H2,1H3
InChIKeyLJKFAQNOJJUGMD-UHFFFAOYSA-N
XLogP2.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 114825972
4-[1-chloro-2-(2-chlorophenyl)ethyl]-2-methyloxolane
CID 114822941
4-(2-chloro-3-cyclopropylbutyl)pyridine
CID 83152471
4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-methyloxolane
CID 114823010
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825906
4-[1-chloro-2-(2-nitrophenyl)ethyl]-2-methyloxolane
CID 114822953
4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane
CID 114826999
1-cyclopropyl-2-pyridin-4-ylethanol
CID 63352817
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
[(5-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105320635
1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 64731111
1-(1,3-dioxolan-2-yl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 103546894

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine?
The IUPAC name of 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine (CID 114823994) is 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine is CC1CC(C(Cl)Cc2ccncc2)CO1.
What is the InChIKey of 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine?
The InChIKey is LJKFAQNOJJUGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-6-11(8-15-9)12(13)7-10-2-4-14-5-3-10/h2-5,9,11-12H,6-8H2,1H3.
What are the key properties of 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine?
4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine has a molecular weight of 225.72 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine is sourced from PubChem (CID 114823994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).