2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine

C18H6Cl6F3N — CID 134635943

IUPAC2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H6Cl6F3N/c19-7-3-10(21)15(11(22)4-7)14-2-1-9(18(25,26)27)17(28-14)16-12(23)5-8(20)6-13(16)24/h1-6H
InChIKeyQYKDRQXCCMBSLW-UHFFFAOYSA-N
MW505.97 g/mol
LogP9.35
Rot. Bonds2

About 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine

2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine (PubChem CID 134635943) has the molecular formula C18H6Cl6F3N and a molecular weight of 505.97 g/mol. Its IUPAC name is 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
PubChem CID134635943
Molecular FormulaC18H6Cl6F3N
Molecular Weight505.97 g/mol
Exact Mass502.86
IUPAC Name2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H6Cl6F3N/c19-7-3-10(21)15(11(22)4-7)14-2-1-9(18(25,26)27)17(28-14)16-12(23)5-8(20)6-13(16)24/h1-6H
InChIKeyQYKDRQXCCMBSLW-UHFFFAOYSA-N
XLogP9.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.97
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4,6-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134635776
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636359
3-chloro-2-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)pyridine
CID 134636127
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134637270
4-chloro-2-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 118839102
2-[2,6-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618255
2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134636914
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
CID 133090291
4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 134636540
2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090273

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine (CID 134635943) is 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)nc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is QYKDRQXCCMBSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Cl6F3N/c19-7-3-10(21)15(11(22)4-7)14-2-1-9(18(25,26)27)17(28-14)16-12(23)5-8(20)6-13(16)24/h1-6H.
What are the key properties of 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine?
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 505.97 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134635943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).