6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine

C12H16ClNO3 — CID 11076111

IUPAC6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine
SMILESCCC1(c2cc(Cl)nc(OC)c2C)OCCO1
InChIInChI=1S/C12H16ClNO3/c1-4-12(16-5-6-17-12)9-7-10(13)14-11(15-3)8(9)2/h7H,4-6H2,1-3H3
InChIKeyGSZXLCCWYOKNIJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.66
Rot. Bonds3

About 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine

6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine (PubChem CID 11076111) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine
PubChem CID11076111
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine
SMILESCCC1(c2cc(Cl)nc(OC)c2C)OCCO1
InChIInChI=1S/C12H16ClNO3/c1-4-12(16-5-6-17-12)9-7-10(13)14-11(15-3)8(9)2/h7H,4-6H2,1-3H3
InChIKeyGSZXLCCWYOKNIJ-UHFFFAOYSA-N
XLogP2.66
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine?
The IUPAC name of 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine (CID 11076111) is 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine.
What is the SMILES notation for 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine?
The canonical SMILES for 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine is CCC1(c2cc(Cl)nc(OC)c2C)OCCO1.
What is the InChIKey of 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine?
The InChIKey is GSZXLCCWYOKNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-4-12(16-5-6-17-12)9-7-10(13)14-11(15-3)8(9)2/h7H,4-6H2,1-3H3.
What are the key properties of 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine?
6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine has a molecular weight of 257.72 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-ethyl-1,3-dioxolan-2-yl)-2-methoxy-3-methylpyridine is sourced from PubChem (CID 11076111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).