3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine

C17H13Cl3F3NO2 — CID 21466401

IUPAC3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine
SMILESCc1cc(OCC=C(Cl)Cl)cc(C)c1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H13Cl3F3NO2/c1-9-5-12(25-4-3-14(19)20)6-10(2)15(9)26-16-13(18)7-11(8-24-16)17(21,22)23/h3,5-8H,4H2,1-2H3
InChIKeyVKBJHGFZKHCLHF-UHFFFAOYSA-N
MW426.65 g/mol
LogP6.86
Rot. Bonds5

About 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine

3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine (PubChem CID 21466401) has the molecular formula C17H13Cl3F3NO2 and a molecular weight of 426.65 g/mol. Its IUPAC name is 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine
PubChem CID21466401
Molecular FormulaC17H13Cl3F3NO2
Molecular Weight426.65 g/mol
Exact Mass425.00
IUPAC Name3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine
SMILESCc1cc(OCC=C(Cl)Cl)cc(C)c1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H13Cl3F3NO2/c1-9-5-12(25-4-3-14(19)20)6-10(2)15(9)26-16-13(18)7-11(8-24-16)17(21,22)23/h3,5-8H,4H2,1-2H3
InChIKeyVKBJHGFZKHCLHF-UHFFFAOYSA-N
XLogP6.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
CID 21466246
2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466411
2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466475
3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine
CID 139750790
2-[3-[2-chloro-4-(3-chloro-3-fluoroprop-2-enoxy)-6-methylphenoxy]propoxy]-5-(trifluoromethyl)pyridine
CID 54038325
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
1-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butoxy]phenyl]ethanone
CID 22318626
1-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenyl]ethanone
CID 10217782
2-[3-[4-(3,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenoxy]propoxy]-5-(trifluoromethyl)pyridine
CID 139730213
2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 169336505
3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]benzoic acid
CID 22318624
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine (CID 21466401) is 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine is Cc1cc(OCC=C(Cl)Cl)cc(C)c1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is VKBJHGFZKHCLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3F3NO2/c1-9-5-12(25-4-3-14(19)20)6-10(2)15(9)26-16-13(18)7-11(8-24-16)17(21,22)23/h3,5-8H,4H2,1-2H3.
What are the key properties of 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine?
3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 426.65 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 21466401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).