2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine

C13H8Cl2F3NO — CID 13269153

IUPAC2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2Cl)cc(Cl)n1
InChIInChI=1S/C13H8Cl2F3NO/c1-7-4-9(6-12(15)19-7)20-11-3-2-8(5-10(11)14)13(16,17)18/h2-6H,1H3
InChIKeyXUDAEYQPQHPWJZ-UHFFFAOYSA-N
MW322.11 g/mol
LogP5.51
Rot. Bonds2

About 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine

2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine (PubChem CID 13269153) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine
PubChem CID13269153
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine
SMILESCc1cc(Oc2ccc(C(F)(F)F)cc2Cl)cc(Cl)n1
InChIInChI=1S/C13H8Cl2F3NO/c1-7-4-9(6-12(15)19-7)20-11-3-2-8(5-10(11)14)13(16,17)18/h2-6H,1H3
InChIKeyXUDAEYQPQHPWJZ-UHFFFAOYSA-N
XLogP5.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.11
LogP ≤ 55.51
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

1-[4-(2-chlorophenoxy)-6-methyl-3-pyridinyl]-N,N-dimethylmethanamine
CID 44453016
2-(3-(2-Chlorophenoxy)prop-1-ynyl)-6-methylpyridine
CID 44416193
2-Chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine
CID 102361414
2-Chloro-6-[4-(trifluoromethyl)phenoxy]pyridine
CID 63588381
2-Methyl-6-[4-(trifluoromethyl)phenoxy]pyridine
CID 102190451
6-Chloro-2-(4-ethoxyphenyl)-3-(trifluoromethyl)pyridine
CID 102449554
4-(4'-Methylphenoxy)-2,3,5,6-tetrachloropyridine
CID 12538987
2-Chloro-3,6-dimethyl-4-(2,4,6-trimethylphenoxy)pyridine
CID 21912415
4-(Benzyloxy)-2,6-dichloropyridine
CID 58209046
4-((3,5-Dichloro-2,6-difluoropyridin-4-yl)oxy)benzonitrile
CID 17602588
2-Chloro-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 11011172
4-Chloro-2-[4-(4-fluorophenoxy)phenyl]-6-methylpyridine
CID 11438401

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine?
The IUPAC name of 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine (CID 13269153) is 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine.
What is the SMILES notation for 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine?
The canonical SMILES for 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine is Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)cc(Cl)n1.
What is the InChIKey of 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine?
The InChIKey is XUDAEYQPQHPWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c1-7-4-9(6-12(15)19-7)20-11-3-2-8(5-10(11)14)13(16,17)18/h2-6H,1H3.
What are the key properties of 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine?
2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine has a molecular weight of 322.11 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-6-methylpyridine is sourced from PubChem (CID 13269153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).