2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine

C9H10Cl3NO2 — CID 102749696

IUPAC2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine
SMILESCOCC(C)Oc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO2/c1-5(4-14-2)15-9-7(11)3-6(10)8(12)13-9/h3,5H,4H2,1-2H3
InChIKeyPILRQBWYIRIHBO-UHFFFAOYSA-N
MW270.54 g/mol
LogP3.46
Rot. Bonds4

About 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine

2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine (PubChem CID 102749696) has the molecular formula C9H10Cl3NO2 and a molecular weight of 270.54 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine
PubChem CID102749696
Molecular FormulaC9H10Cl3NO2
Molecular Weight270.54 g/mol
Exact Mass268.98
IUPAC Name2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine
SMILESCOCC(C)Oc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO2/c1-5(4-14-2)15-9-7(11)3-6(10)8(12)13-9/h3,5H,4H2,1-2H3
InChIKeyPILRQBWYIRIHBO-UHFFFAOYSA-N
XLogP3.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(1-methoxypropan-2-yloxy)-N-methylpyrimidin-2-amine
CID 80879542
2,3,5-trichloro-6-(4-methylpentoxy)pyridine
CID 102749440
2-(1-methoxypropan-2-yloxy)-3,6-dimethylpyridine
CID 167457089
[3,5-dichloro-6-(1-ethoxypropan-2-yloxy)-2-pyridinyl]hydrazine
CID 103491803
2-tert-butyl-4-chloro-6-(1-methoxypropan-2-yloxy)pyrimidine
CID 80948473
2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine
CID 106665577
3,5-dichloro-6-(1-ethoxypropan-2-yloxy)-N-propylpyridin-2-amine
CID 103491550
N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
CID 102750784
ethyl 2-butoxy-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 6420749
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
[3,5-dichloro-6-(4-methylpentan-2-yloxy)-2-pyridinyl]hydrazine
CID 102762740
5-chloro-2-(1-methoxypropan-2-yloxy)pyridine
CID 66231644

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine (CID 102749696) is 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine is COCC(C)Oc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine?
The InChIKey is PILRQBWYIRIHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NO2/c1-5(4-14-2)15-9-7(11)3-6(10)8(12)13-9/h3,5H,4H2,1-2H3.
What are the key properties of 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine?
2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine has a molecular weight of 270.54 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine is sourced from PubChem (CID 102749696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).