2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine

C15H14Cl3NO — CID 102749594

IUPAC2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine
SMILESCc1ccc(C(C)C)cc1Oc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-8(2)10-5-4-9(3)13(6-10)20-15-12(17)7-11(16)14(18)19-15/h4-8H,1-3H3
InChIKeyGJKRHSYKEBJTGZ-UHFFFAOYSA-N
MW330.64 g/mol
LogP6.27
Rot. Bonds3

About 2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine

2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine (PubChem CID 102749594) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine
PubChem CID102749594
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine
SMILESCc1ccc(C(C)C)cc1Oc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-8(2)10-5-4-9(3)13(6-10)20-15-12(17)7-11(16)14(18)19-15/h4-8H,1-3H3
InChIKeyGJKRHSYKEBJTGZ-UHFFFAOYSA-N
XLogP6.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.64
LogP ≤ 56.27
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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Related Compounds

3,5-dichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-2-amine
CID 102760807
5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319
6-chloro-2-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 115474511
5-chloro-N-ethyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874170
2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 62338137
5-chloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 63459288
2-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-7H-purine
CID 104786973
5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80875224
4-chloro-6-(2-methyl-5-propan-2-ylphenoxy)-5-nitropyrimidine
CID 62102170
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzaldehyde
CID 114844853
5-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 62476910
1,2,3,4-tetramethyl-5-(2-methyl-5-propan-2-ylphenoxy)benzene
CID 71382787

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine (CID 102749594) is 2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine is Cc1ccc(C(C)C)cc1Oc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine?
The InChIKey is GJKRHSYKEBJTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-8(2)10-5-4-9(3)13(6-10)20-15-12(17)7-11(16)14(18)19-15/h4-8H,1-3H3.
What are the key properties of 2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine?
2,3,5-trichloro-6-(2-methyl-5-propan-2-ylphenoxy)pyridine has a molecular weight of 330.64 g/mol, XLogP of 6.27, 3 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-(2-methyl-5-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 102749594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).