3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine

C15H13ClF3NO — CID 20555111

IUPAC3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-9(2)11-5-3-4-6-13(11)21-14-12(16)7-10(8-20-14)15(17,18)19/h3-9H,1-2H3
InChIKeyLFSDDXAORIHDIU-UHFFFAOYSA-N
MW315.72 g/mol
LogP5.67
Rot. Bonds3

About 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 20555111) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
PubChem CID20555111
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H13ClF3NO/c1-9(2)11-5-3-4-6-13(11)21-14-12(16)7-10(8-20-14)15(17,18)19/h3-9H,1-2H3
InChIKeyLFSDDXAORIHDIU-UHFFFAOYSA-N
XLogP5.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.72
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxyphenol
CID 9795997
2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)aniline
CID 2773892
Methyl 2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetate
CID 3652861
6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 514897
6-chloro-2-(4-chlorophenyl)-2H-pyrano[2,3-b]pyridine
CID 514907
3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenol
CID 2782994
3-Chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine
CID 2446861
4-(6-Chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride
CID 44523133
2-(2-Chloro-5-fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 46230756
Rac-3-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl)hex-4-ynoic acid
CID 54582630
2-(2-Chlorophenoxy)-5-(trifluoromethyl)pyridine
CID 894634
2-(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetic acid
CID 1477648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine (CID 20555111) is 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine is CC(C)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is LFSDDXAORIHDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-9(2)11-5-3-4-6-13(11)21-14-12(16)7-10(8-20-14)15(17,18)19/h3-9H,1-2H3.
What are the key properties of 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 315.72 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-propan-2-ylphenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 20555111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).