5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine

C11H16ClNO2 — CID 103489448

IUPAC5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine
SMILESCCOCC(C)Oc1ccc(CCl)cn1
InChIInChI=1S/C11H16ClNO2/c1-3-14-8-9(2)15-11-5-4-10(6-12)7-13-11/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyVHVPTNBTVWTVIJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.62
Rot. Bonds6

About 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine

5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine (PubChem CID 103489448) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine
PubChem CID103489448
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine
SMILESCCOCC(C)Oc1ccc(CCl)cn1
InChIInChI=1S/C11H16ClNO2/c1-3-14-8-9(2)15-11-5-4-10(6-12)7-13-11/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyVHVPTNBTVWTVIJ-UHFFFAOYSA-N
XLogP2.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-2-ethoxypyridine
CID 10535190
5-(chloromethyl)-2-ethoxypyridine;hydrochloride
CID 21271667
5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61268972
2-chloro-5-(1-ethoxypropan-2-yloxymethyl)pyridine
CID 103487953
5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile
CID 103488112
(6-pentan-2-yloxy-3-pyridinyl)methanamine
CID 102980166
2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine
CID 103488018
5-chloro-2-(1-methoxypropan-2-yloxy)pyridine
CID 66231644
1-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 103271063
[5-(chloromethyl)-2-pyridinyl] ethyl carbonate
CID 68955424
N-[[5-chloro-2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103490459
2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine
CID 61268989

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine (CID 103489448) is 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine is CCOCC(C)Oc1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine?
The InChIKey is VHVPTNBTVWTVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-3-14-8-9(2)15-11-5-4-10(6-12)7-13-11/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine?
5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine has a molecular weight of 229.71 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine is sourced from PubChem (CID 103489448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).