3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine

C18H6Cl6F3N — CID 134637276

IUPAC3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncc(-c2c(Cl)ccc(Cl)c2Cl)cc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C18H6Cl6F3N/c19-9-1-3-11(21)15(23)13(9)7-5-8(17(28-6-7)18(25,26)27)14-10(20)2-4-12(22)16(14)24/h1-6H
InChIKeyXMTDPRYQBXEHAS-UHFFFAOYSA-N
MW505.97 g/mol
LogP9.35
Rot. Bonds2

About 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine

3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine (PubChem CID 134637276) has the molecular formula C18H6Cl6F3N and a molecular weight of 505.97 g/mol. Its IUPAC name is 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
PubChem CID134637276
Molecular FormulaC18H6Cl6F3N
Molecular Weight505.97 g/mol
Exact Mass502.86
IUPAC Name3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ncc(-c2c(Cl)ccc(Cl)c2Cl)cc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C18H6Cl6F3N/c19-9-1-3-11(21)15(23)13(9)7-5-8(17(28-6-7)18(25,26)27)14-10(20)2-4-12(22)16(14)24/h1-6H
InChIKeyXMTDPRYQBXEHAS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118802423
2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol
CID 133092515
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 118822370
2-[2-amino-5-(2,3,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119022137
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
CID 133092660
5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637033
5-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 130088550
3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130
1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134622327
1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene
CID 134628722

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine (CID 134637276) is 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1ncc(-c2c(Cl)ccc(Cl)c2Cl)cc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is XMTDPRYQBXEHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Cl6F3N/c19-9-1-3-11(21)15(23)13(9)7-5-8(17(28-6-7)18(25,26)27)14-10(20)2-4-12(22)16(14)24/h1-6H.
What are the key properties of 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine?
3,5-bis(2,3,6-trichlorophenyl)-2-(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 3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134637276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).