4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine

C13H7Cl3F3NO — CID 134636540

IUPAC4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2c(Cl)cc(Cl)cc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C13H7Cl3F3NO/c1-21-11-4-10(20-5-7(11)13(17,18)19)12-8(15)2-6(14)3-9(12)16/h2-5H,1H3
InChIKeyDRSQNPRDOZVOMZ-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.74
Rot. Bonds2

About 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine

4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine (PubChem CID 134636540) has the molecular formula C13H7Cl3F3NO and a molecular weight of 356.56 g/mol. Its IUPAC name is 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine
PubChem CID134636540
Molecular FormulaC13H7Cl3F3NO
Molecular Weight356.56 g/mol
Exact Mass354.95
IUPAC Name4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2c(Cl)cc(Cl)cc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C13H7Cl3F3NO/c1-21-11-4-10(20-5-7(11)13(17,18)19)12-8(15)2-6(14)3-9(12)16/h2-5H,1H3
InChIKeyDRSQNPRDOZVOMZ-UHFFFAOYSA-N
XLogP5.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134628438
4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyridine
CID 162606736
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 134620758
1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
CID 134627077
4-chloro-6-methoxy-3-methyl-7-(trifluoromethyl)quinoline
CID 171373255
2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 118847434
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134635943
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
CID 134259779
2-[2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118841766
2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 134620746

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine (CID 134636540) is 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine is COc1cc(-c2c(Cl)cc(Cl)cc2Cl)ncc1C(F)(F)F.
What is the InChIKey of 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is DRSQNPRDOZVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3NO/c1-21-11-4-10(20-5-7(11)13(17,18)19)12-8(15)2-6(14)3-9(12)16/h2-5H,1H3.
What are the key properties of 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine?
4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 356.56 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134636540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).