2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol

C23H27Cl6N3O2 — CID 167685755

IUPAC2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol
SMILESC.C=Cc1ccc(Cl)nc1Cl.CC(O)c1ccc(Cl)nc1Cl.CCc1ccc(Cl)nc1Cl.CO
InChIInChI=1S/C7H7Cl2NO.C7H7Cl2N.C7H5Cl2N.CH4O.CH4/c1-4(11)5-2-3-6(8)10-7(5)9;2*1-2-5-3-4-6(8)10-7(5)9;1-2;/h2-4,11H,1H3;3-4H,2H2,1H3;2-4H,1H2;2H,1H3;1H4
InChIKeyWEMUBEGDUWCVRI-UHFFFAOYSA-N
MW590.21 g/mol
LogP8.67
Rot. Bonds3

About 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol

2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol (PubChem CID 167685755) has the molecular formula C23H27Cl6N3O2 and a molecular weight of 590.21 g/mol. Its IUPAC name is 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol.

Molecular Properties

Compound Name2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol
PubChem CID167685755
Molecular FormulaC23H27Cl6N3O2
Molecular Weight590.21 g/mol
Exact Mass587.02
IUPAC Name2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol
SMILESC.C=Cc1ccc(Cl)nc1Cl.CC(O)c1ccc(Cl)nc1Cl.CCc1ccc(Cl)nc1Cl.CO
InChIInChI=1S/C7H7Cl2NO.C7H7Cl2N.C7H5Cl2N.CH4O.CH4/c1-4(11)5-2-3-6(8)10-7(5)9;2*1-2-5-3-4-6(8)10-7(5)9;1-2;/h2-4,11H,1H3;3-4H,2H2,1H3;2-4H,1H2;2H,1H3;1H4
InChIKeyWEMUBEGDUWCVRI-UHFFFAOYSA-N
XLogP8.67
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.21
LogP ≤ 58.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol?
The IUPAC name of 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol (CID 167685755) is 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol.
What is the SMILES notation for 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol?
The canonical SMILES for 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol is C.C=Cc1ccc(Cl)nc1Cl.CC(O)c1ccc(Cl)nc1Cl.CCc1ccc(Cl)nc1Cl.CO.
What is the InChIKey of 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol?
The InChIKey is WEMUBEGDUWCVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO.C7H7Cl2N.C7H5Cl2N.CH4O.CH4/c1-4(11)5-2-3-6(8)10-7(5)9;2*1-2-5-3-4-6(8)10-7(5)9;1-2;/h2-4,11H,1H3;3-4H,2H2,1H3;2-4H,1H2;2H,1H3;1H4.
What are the key properties of 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol?
2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol has a molecular weight of 590.21 g/mol, XLogP of 8.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-ethenylpyridine;2,6-dichloro-3-ethylpyridine;1-(2,6-dichloro-3-pyridinyl)ethanol;methane;methanol is sourced from PubChem (CID 167685755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).