3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine

C15H13ClF3NO2 — CID 56627403

IUPAC3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
SMILESCC(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H13ClF3NO2/c1-9(2)21-11-3-5-12(6-4-11)22-14-13(16)7-10(8-20-14)15(17,18)19/h3-9H,1-2H3
InChIKeyGPMUHEAMOZODER-UHFFFAOYSA-N
MW331.72 g/mol
LogP5.33
Rot. Bonds4

About 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 56627403) has the molecular formula C15H13ClF3NO2 and a molecular weight of 331.72 g/mol. Its IUPAC name is 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID56627403
Molecular FormulaC15H13ClF3NO2
Molecular Weight331.72 g/mol
Exact Mass331.06
IUPAC Name3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
SMILESCC(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H13ClF3NO2/c1-9(2)21-11-3-5-12(6-4-11)22-14-13(16)7-10(8-20-14)15(17,18)19/h3-9H,1-2H3
InChIKeyGPMUHEAMOZODER-UHFFFAOYSA-N
XLogP5.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.72
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trideuteriomethyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 155817554
(5R)-5-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]hexane-2,4-dione
CID 54039823
methoxymethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 67846451
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
[2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoyl-methylamino]-methoxy-oxophosphanium
CID 67900245
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
(E)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-methoxymethanimine
CID 43811221
[4-(4-nitrophenoxy)phenyl] 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 14498577
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfanylphenol
CID 139697363
naphthalen-1-yl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 141479455
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propaneperoxoate
CID 22070374
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-N-(diethoxyphosphorylmethyl)propanamide
CID 14030479

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine (CID 56627403) is 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine is CC(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is GPMUHEAMOZODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO2/c1-9(2)21-11-3-5-12(6-4-11)22-14-13(16)7-10(8-20-14)15(17,18)19/h3-9H,1-2H3.
What are the key properties of 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 331.72 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 56627403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).