2,3,5-trichloro-6-(4-methylpentoxy)pyridine

C11H14Cl3NO — CID 102749440

IUPAC2,3,5-trichloro-6-(4-methylpentoxy)pyridine
SMILESCC(C)CCCOc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3NO/c1-7(2)4-3-5-16-11-9(13)6-8(12)10(14)15-11/h6-7H,3-5H2,1-2H3
InChIKeyNOUPYTRXLXFMCX-UHFFFAOYSA-N
MW282.60 g/mol
LogP4.86
Rot. Bonds5

About 2,3,5-trichloro-6-(4-methylpentoxy)pyridine

2,3,5-trichloro-6-(4-methylpentoxy)pyridine (PubChem CID 102749440) has the molecular formula C11H14Cl3NO and a molecular weight of 282.60 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(4-methylpentoxy)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(4-methylpentoxy)pyridine
PubChem CID102749440
Molecular FormulaC11H14Cl3NO
Molecular Weight282.60 g/mol
Exact Mass281.01
IUPAC Name2,3,5-trichloro-6-(4-methylpentoxy)pyridine
SMILESCC(C)CCCOc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3NO/c1-7(2)4-3-5-16-11-9(13)6-8(12)10(14)15-11/h6-7H,3-5H2,1-2H3
InChIKeyNOUPYTRXLXFMCX-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.60
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 102760377
5-chloro-2-methoxy-6-(4-methylpentoxy)-3-nitropyridine
CID 58153480
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine
CID 106665577
2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine
CID 102749696
3-bromo-5-chloro-2-(4-methylpentoxy)pyridine
CID 114837631
2-chloro-5-fluoro-4-(4-methylpentoxy)pyrimidine
CID 79080952
3-chloro-2-methoxy-6-(4-methylpentoxy)-5-nitropyridine
CID 58153392
4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine
CID 62481699
4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
CID 80740148
5-chloro-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 114676197
CID 89255517
CID 89255517

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(4-methylpentoxy)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(4-methylpentoxy)pyridine (CID 102749440) is 2,3,5-trichloro-6-(4-methylpentoxy)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(4-methylpentoxy)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(4-methylpentoxy)pyridine is CC(C)CCCOc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(4-methylpentoxy)pyridine?
The InChIKey is NOUPYTRXLXFMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO/c1-7(2)4-3-5-16-11-9(13)6-8(12)10(14)15-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,3,5-trichloro-6-(4-methylpentoxy)pyridine?
2,3,5-trichloro-6-(4-methylpentoxy)pyridine has a molecular weight of 282.60 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(4-methylpentoxy)pyridine is sourced from PubChem (CID 102749440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).