3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine

C11H15Cl2NO2 — CID 61268038

IUPAC3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine
SMILESCC(C)OCCOc1ccc(Cl)c(CCl)n1
InChIInChI=1S/C11H15Cl2NO2/c1-8(2)15-5-6-16-11-4-3-9(13)10(7-12)14-11/h3-4,8H,5-7H2,1-2H3
InChIKeyKBFDGTSDEQZQFZ-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.28
Rot. Bonds6

About 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine

3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine (PubChem CID 61268038) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine
PubChem CID61268038
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine
SMILESCC(C)OCCOc1ccc(Cl)c(CCl)n1
InChIInChI=1S/C11H15Cl2NO2/c1-8(2)15-5-6-16-11-4-3-9(13)10(7-12)14-11/h3-4,8H,5-7H2,1-2H3
InChIKeyKBFDGTSDEQZQFZ-UHFFFAOYSA-N
XLogP3.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(chloromethyl)-6-propan-2-yloxypyridine
CID 61267668
[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
CID 61257163
5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 114921190
3-chloro-2-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridine
CID 61269894
4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 61268408
2-fluoro-6-(2-propan-2-yloxyethoxy)pyridine
CID 61229543
2-(chloromethyl)-5-(2-propan-2-yloxyethoxy)pyrazine
CID 107373642
3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
[3-chloro-6-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 63684959
N-[[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115942738
N-[[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291624
3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
CID 106597658

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine (CID 61268038) is 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine is CC(C)OCCOc1ccc(Cl)c(CCl)n1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine?
The InChIKey is KBFDGTSDEQZQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c1-8(2)15-5-6-16-11-4-3-9(13)10(7-12)14-11/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine?
3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine has a molecular weight of 264.15 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine is sourced from PubChem (CID 61268038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).