2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine

C11H13ClF3NO2 — CID 121387198

IUPAC2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine
SMILESCC(C)c1ccc(OCCOC(F)(F)F)c(Cl)n1
InChIInChI=1S/C11H13ClF3NO2/c1-7(2)8-3-4-9(10(12)16-8)17-5-6-18-11(13,14)15/h3-4,7H,5-6H2,1-2H3
InChIKeyVESBEPCYHJELLU-UHFFFAOYSA-N
MW283.68 g/mol
LogP3.77
Rot. Bonds5

About 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine

2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine (PubChem CID 121387198) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine
PubChem CID121387198
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC Name2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine
SMILESCC(C)c1ccc(OCCOC(F)(F)F)c(Cl)n1
InChIInChI=1S/C11H13ClF3NO2/c1-7(2)8-3-4-9(10(12)16-8)17-5-6-18-11(13,14)15/h3-4,7H,5-6H2,1-2H3
InChIKeyVESBEPCYHJELLU-UHFFFAOYSA-N
XLogP3.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-Chloro-3-(2-(2,4-dichlorophenoxy)ethoxy)-6-(fluoromethyl)pyridine
CID 44620894
3-[2-(2,4-Dichlorophenoxy)ethoxy]-2-iodo-6-methylpyridine
CID 56835136
2-Chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-ethenylpyridine
CID 57400467
3-[2-(2,4-Dichlorophenoxy)ethoxy]-2,6-dimethylpyridine
CID 57393480
3-[2-(2,4-Dichlorophenoxy)ethoxy]-2-ethyl-6-methylpyridine
CID 57393481
2-Chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(methoxymethyl)pyridine
CID 44620893
2-Chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(2-methylprop-1-enyl)pyridine
CID 57391815
2-Chloro-3-phenylmethoxy-6-(trifluoromethyl)pyridine
CID 102361414
3-Butoxy-6-(chloromethyl)-2-methylpyridine
CID 164927151
3-Butoxy-2,6-bis(chloromethyl)pyridine
CID 164927153
4-chloro-2-[(E)-1-cyclopropyl-2-methoxyethenyl]-3-(difluoromethoxy)pyridine
CID 18629348
2-Chloro-6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methyl-3-pentan-3-yloxypyridine
CID 21104778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine?
The IUPAC name of 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine (CID 121387198) is 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine.
What is the SMILES notation for 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine?
The canonical SMILES for 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine is CC(C)c1ccc(OCCOC(F)(F)F)c(Cl)n1.
What is the InChIKey of 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine?
The InChIKey is VESBEPCYHJELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO2/c1-7(2)8-3-4-9(10(12)16-8)17-5-6-18-11(13,14)15/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine?
2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine has a molecular weight of 283.68 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-yl-3-[2-(trifluoromethoxy)ethoxy]pyridine is sourced from PubChem (CID 121387198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).