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

C15H12Cl2F3NO — CID 19068792

IUPAC3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine
SMILESCC(C)Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2F3NO/c1-8(2)22-13-5-9(3-4-11(13)16)14-12(17)6-10(7-21-14)15(18,19)20/h3-8H,1-2H3
InChIKeyNUGSPSWVLKDYTK-UHFFFAOYSA-N
MW350.17 g/mol
LogP5.86
Rot. Bonds3

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

3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine (PubChem CID 19068792) has the molecular formula C15H12Cl2F3NO and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine
PubChem CID19068792
Molecular FormulaC15H12Cl2F3NO
Molecular Weight350.17 g/mol
Exact Mass349.02
IUPAC Name3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine
SMILESCC(C)Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2F3NO/c1-8(2)22-13-5-9(3-4-11(13)16)14-12(17)6-10(7-21-14)15(18,19)20/h3-8H,1-2H3
InChIKeyNUGSPSWVLKDYTK-UHFFFAOYSA-N
XLogP5.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.17
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(4-chlorophenyl)-2H-pyrano[2,3-b]pyridine
CID 514907
Methyl 2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenoxy)propanoate
CID 16412981
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
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-methoxyphenyl)methanone oxime
CID 135473482
2-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107709644
2-(4-Butoxyphenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 172433752
3-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanenitrile
CID 172436567
3-Chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
CID 1483185
3-Chloro-2-phenoxy-5-(trifluoromethyl)pyridine
CID 1474127
2-(3-Methoxyphenyl)-5-(trifluoromethyl)pyridine
CID 15901290
2-Chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine
CID 132542671

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine (CID 19068792) is 3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine is CC(C)Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is NUGSPSWVLKDYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3NO/c1-8(2)22-13-5-9(3-4-11(13)16)14-12(17)6-10(7-21-14)15(18,19)20/h3-8H,1-2H3.
What are the key properties of 3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 350.17 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chloro-3-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 19068792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).