[5-(chloromethyl)-2-pyridinyl] ethyl carbonate

C9H10ClNO3 — CID 68955424

IUPAC[5-(chloromethyl)-2-pyridinyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(CCl)cn1
InChIInChI=1S/C9H10ClNO3/c1-2-13-9(12)14-8-4-3-7(5-10)6-11-8/h3-4,6H,2,5H2,1H3
InChIKeyMYNKDJZKDQZUNB-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.36
Rot. Bonds3

About [5-(chloromethyl)-2-pyridinyl] ethyl carbonate

[5-(chloromethyl)-2-pyridinyl] ethyl carbonate (PubChem CID 68955424) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is [5-(chloromethyl)-2-pyridinyl] ethyl carbonate.

Molecular Properties

Compound Name[5-(chloromethyl)-2-pyridinyl] ethyl carbonate
PubChem CID68955424
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name[5-(chloromethyl)-2-pyridinyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(CCl)cn1
InChIInChI=1S/C9H10ClNO3/c1-2-13-9(12)14-8-4-3-7(5-10)6-11-8/h3-4,6H,2,5H2,1H3
InChIKeyMYNKDJZKDQZUNB-UHFFFAOYSA-N
XLogP2.36
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (5-methyl-2-pyridinyl) carbonate
CID 70426723
5-(chloromethyl)-2-ethoxypyridine
CID 10535190
5-(chloromethyl)-2-ethoxypyridine;hydrochloride
CID 21271667
5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61268972
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate
CID 68817802
5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine
CID 103489448
5-(chloromethyl)-2-(3,5-dimethylphenoxy)pyridine
CID 61270098
(5-propyl-2-pyridinyl) propanoate
CID 146561214
ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
5-[4-(chloromethyl)phenyl]-2-ethoxypyridine
CID 67173780
2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268981

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)-2-pyridinyl] ethyl carbonate?
The IUPAC name of [5-(chloromethyl)-2-pyridinyl] ethyl carbonate (CID 68955424) is [5-(chloromethyl)-2-pyridinyl] ethyl carbonate.
What is the SMILES notation for [5-(chloromethyl)-2-pyridinyl] ethyl carbonate?
The canonical SMILES for [5-(chloromethyl)-2-pyridinyl] ethyl carbonate is CCOC(=O)Oc1ccc(CCl)cn1.
What is the InChIKey of [5-(chloromethyl)-2-pyridinyl] ethyl carbonate?
The InChIKey is MYNKDJZKDQZUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-2-13-9(12)14-8-4-3-7(5-10)6-11-8/h3-4,6H,2,5H2,1H3.
What are the key properties of [5-(chloromethyl)-2-pyridinyl] ethyl carbonate?
[5-(chloromethyl)-2-pyridinyl] ethyl carbonate has a molecular weight of 215.64 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)-2-pyridinyl] ethyl carbonate is sourced from PubChem (CID 68955424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).