2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile

C15H9Cl2F3N2O — CID 19068757

IUPAC2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile
SMILESCC(C#N)Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C15H9Cl2F3N2O/c1-8(6-21)23-13-4-9(2-3-11(13)16)14-12(17)5-10(7-22-14)15(18,19)20/h2-5,7-8H,1H3
InChIKeyJBEZCKGYGVECGC-UHFFFAOYSA-N
MW361.15 g/mol
LogP5.37
Rot. Bonds3

About 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile

2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile (PubChem CID 19068757) has the molecular formula C15H9Cl2F3N2O and a molecular weight of 361.15 g/mol. Its IUPAC name is 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile.

Molecular Properties

Compound Name2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile
PubChem CID19068757
Molecular FormulaC15H9Cl2F3N2O
Molecular Weight361.15 g/mol
Exact Mass360.00
IUPAC Name2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile
SMILESCC(C#N)Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C15H9Cl2F3N2O/c1-8(6-21)23-13-4-9(2-3-11(13)16)14-12(17)5-10(7-22-14)15(18,19)20/h2-5,7-8H,1H3
InChIKeyJBEZCKGYGVECGC-UHFFFAOYSA-N
XLogP5.37
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.15
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-2-[(2,4-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine
CID 2809320
3-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenoxy]-2-butanone
CID 3760929
2-(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetonitrile
CID 2773895
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-methoxyphenyl)methanone oxime
CID 135473482
4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile
CID 2744478
3-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanenitrile
CID 172436567
3-Chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
CID 1483185
4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzonitrile
CID 2809321
2-Chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine
CID 132542671
2-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]acetonitrile
CID 2746240
5-(4-Chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 3454515
N-{[3-Chloro-5-(trifluoromethyl)pyridin-2-YL](4-methoxyphenyl)methylidene}hydroxylamine
CID 3751879

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile?
The IUPAC name of 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile (CID 19068757) is 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile.
What is the SMILES notation for 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile?
The canonical SMILES for 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile is CC(C#N)Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile?
The InChIKey is JBEZCKGYGVECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O/c1-8(6-21)23-13-4-9(2-3-11(13)16)14-12(17)5-10(7-22-14)15(18,19)20/h2-5,7-8H,1H3.
What are the key properties of 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile?
2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile has a molecular weight of 361.15 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanenitrile is sourced from PubChem (CID 19068757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).