2,6-dichloro-4-methoxy-3-propan-2-ylpyridine

C9H11Cl2NO — CID 146431908

IUPAC2,6-dichloro-4-methoxy-3-propan-2-ylpyridine
SMILESCOc1cc(Cl)nc(Cl)c1C(C)C
InChIInChI=1S/C9H11Cl2NO/c1-5(2)8-6(13-3)4-7(10)12-9(8)11/h4-5H,1-3H3
InChIKeyMXSDPTXLFREFTJ-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.52
Rot. Bonds2

About 2,6-dichloro-4-methoxy-3-propan-2-ylpyridine

2,6-dichloro-4-methoxy-3-propan-2-ylpyridine (PubChem CID 146431908) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2,6-dichloro-4-methoxy-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2,6-dichloro-4-methoxy-3-propan-2-ylpyridine
PubChem CID146431908
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2,6-dichloro-4-methoxy-3-propan-2-ylpyridine
SMILESCOc1cc(Cl)nc(Cl)c1C(C)C
InChIInChI=1S/C9H11Cl2NO/c1-5(2)8-6(13-3)4-7(10)12-9(8)11/h4-5H,1-3H3
InChIKeyMXSDPTXLFREFTJ-UHFFFAOYSA-N
XLogP3.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4-methoxy-3-propan-2-ylpyridine?
The IUPAC name of 2,6-dichloro-4-methoxy-3-propan-2-ylpyridine (CID 146431908) is 2,6-dichloro-4-methoxy-3-propan-2-ylpyridine.
What is the SMILES notation for 2,6-dichloro-4-methoxy-3-propan-2-ylpyridine?
The canonical SMILES for 2,6-dichloro-4-methoxy-3-propan-2-ylpyridine is COc1cc(Cl)nc(Cl)c1C(C)C.
What is the InChIKey of 2,6-dichloro-4-methoxy-3-propan-2-ylpyridine?
The InChIKey is MXSDPTXLFREFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-5(2)8-6(13-3)4-7(10)12-9(8)11/h4-5H,1-3H3.
What are the key properties of 2,6-dichloro-4-methoxy-3-propan-2-ylpyridine?
2,6-dichloro-4-methoxy-3-propan-2-ylpyridine has a molecular weight of 220.10 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methoxy-3-propan-2-ylpyridine is sourced from PubChem (CID 146431908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).