2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine

C12H18ClNO — CID 66232512

IUPAC2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine
SMILESCC(C)(C)CCOc1cccc(CCl)n1
InChIInChI=1S/C12H18ClNO/c1-12(2,3)7-8-15-11-6-4-5-10(9-13)14-11/h4-6H,7-9H2,1-3H3
InChIKeyONDQJRZMYCEFOT-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.64
Rot. Bonds4

About 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine

2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine (PubChem CID 66232512) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine
PubChem CID66232512
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine
SMILESCC(C)(C)CCOc1cccc(CCl)n1
InChIInChI=1S/C12H18ClNO/c1-12(2,3)7-8-15-11-6-4-5-10(9-13)14-11/h4-6H,7-9H2,1-3H3
InChIKeyONDQJRZMYCEFOT-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.64
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

[6-(3,3-dimethylbutoxy)-2-pyridinyl]methanol
CID 66234998
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
CID 66226819
2-(chloromethyl)-6-heptoxypyridine
CID 63446220
3-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridazine
CID 66232513
6-(3,3-dimethylbutoxy)-N-ethylpyridin-2-amine
CID 80878218
2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine
CID 62238846
[6-(3,3-dimethylbutoxy)-2-pyridinyl]oxyboronic acid
CID 178066328
6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66231549
2-(chloromethyl)-6-phenylmethoxypyridine
CID 21193174
6-(3,3-dimethylbutoxy)pyridine-2-carboximidamide
CID 66232264
3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 70847455
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine (CID 66232512) is 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine is CC(C)(C)CCOc1cccc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine?
The InChIKey is ONDQJRZMYCEFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-12(2,3)7-8-15-11-6-4-5-10(9-13)14-11/h4-6H,7-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine?
2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine has a molecular weight of 227.73 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(3,3-dimethylbutoxy)pyridine is sourced from PubChem (CID 66232512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).