3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine

C12H18ClNO2 — CID 106448463

IUPAC3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
SMILESCC(C)COCCOc1ncccc1CCl
InChIInChI=1S/C12H18ClNO2/c1-10(2)9-15-6-7-16-12-11(8-13)4-3-5-14-12/h3-5,10H,6-9H2,1-2H3
InChIKeyIAJBEQLOSHANRP-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.87
Rot. Bonds7

About 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine

3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine (PubChem CID 106448463) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
PubChem CID106448463
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
SMILESCC(C)COCCOc1ncccc1CCl
InChIInChI=1S/C12H18ClNO2/c1-10(2)9-15-6-7-16-12-11(8-13)4-3-5-14-12/h3-5,10H,6-9H2,1-2H3
InChIKeyIAJBEQLOSHANRP-UHFFFAOYSA-N
XLogP2.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.87
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-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 61268037
3-(chloromethyl)-2-(3,3-dimethylbutoxy)pyridine
CID 66224234
3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 106458112
3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile
CID 106447603
[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine
CID 106449463
[3-[2-(2-methylpropoxy)ethoxymethyl]-2-pyridinyl]hydrazine
CID 106449351
3-(chloromethyl)-2-[(2-methylpropan-2-yl)oxy]pyridine
CID 61268222
[3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine
CID 106446703
2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
CID 83884318
3-(chloromethyl)-2-(2-propan-2-ylphenoxy)pyridine
CID 61268632
3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448479
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine?
The IUPAC name of 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine (CID 106448463) is 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine is CC(C)COCCOc1ncccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine?
The InChIKey is IAJBEQLOSHANRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-10(2)9-15-6-7-16-12-11(8-13)4-3-5-14-12/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine?
3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine has a molecular weight of 243.73 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine is sourced from PubChem (CID 106448463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).