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

C13H4Cl3F6N — CID 134637270

IUPAC2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2cc(Cl)cc(Cl)c2Cl)n1
InChIInChI=1S/C13H4Cl3F6N/c14-5-3-6(10(16)8(15)4-5)11-7(12(17,18)19)1-2-9(23-11)13(20,21)22/h1-4H
InChIKeyWTASULVCFQRXIB-UHFFFAOYSA-N
MW394.53 g/mol
LogP6.75
Rot. Bonds1

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

2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine (PubChem CID 134637270) has the molecular formula C13H4Cl3F6N and a molecular weight of 394.53 g/mol. Its IUPAC name is 2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
PubChem CID134637270
Molecular FormulaC13H4Cl3F6N
Molecular Weight394.53 g/mol
Exact Mass392.93
IUPAC Name2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2cc(Cl)cc(Cl)c2Cl)n1
InChIInChI=1S/C13H4Cl3F6N/c14-5-3-6(10(16)8(15)4-5)11-7(12(17,18)19)1-2-9(23-11)13(20,21)22/h1-4H
InChIKeyWTASULVCFQRXIB-UHFFFAOYSA-N
XLogP6.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.53
LogP ≤ 56.75
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-(2,4,6-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134635776
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430
2-(2,4-dichlorophenyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 118836217
3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636331
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134635943
4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
CID 119002817
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118841877
2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819430
2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134630482

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine (CID 134637270) is 2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine is FC(F)(F)c1ccc(C(F)(F)F)c(-c2cc(Cl)cc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine?
The InChIKey is WTASULVCFQRXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4Cl3F6N/c14-5-3-6(10(16)8(15)4-5)11-7(12(17,18)19)1-2-9(23-11)13(20,21)22/h1-4H.
What are the key properties of 2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine?
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine has a molecular weight of 394.53 g/mol, XLogP of 6.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 134637270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).