3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine

C8H7ClF3NO — CID 71058681

IUPAC3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
SMILESCCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H7ClF3NO/c1-2-14-7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,2H2,1H3
InChIKeyIAARDOAOJIKJLL-UHFFFAOYSA-N
MW225.60 g/mol
LogP3.15
Rot. Bonds2

About 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine

3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine (PubChem CID 71058681) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
PubChem CID71058681
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
SMILESCCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H7ClF3NO/c1-2-14-7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,2H2,1H3
InChIKeyIAARDOAOJIKJLL-UHFFFAOYSA-N
XLogP3.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
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3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
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2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
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1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-ethylurea
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3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
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3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
5-tert-butyl-3-chloro-2-cyclopropylpyridine;5-tert-butyl-3-chloro-2-ethoxypyridine
CID 159801228
ethyl (1E)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methanimidate
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4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluoroaniline
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3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
CID 170266507

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine (CID 71058681) is 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine is CCOc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine?
The InChIKey is IAARDOAOJIKJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-2-14-7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,2H2,1H3.
What are the key properties of 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine?
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine has a molecular weight of 225.60 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71058681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).