2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine

C13H6ClF6N — CID 119019124

IUPAC2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccccc2C(F)(F)F)c(Cl)n1
InChIInChI=1S/C13H6ClF6N/c14-11-8(5-6-10(21-11)13(18,19)20)7-3-1-2-4-9(7)12(15,16)17/h1-6H
InChIKeyBOFPRKAAMJVWPZ-UHFFFAOYSA-N
MW325.64 g/mol
LogP5.44
Rot. Bonds1

About 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine

2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 119019124) has the molecular formula C13H6ClF6N and a molecular weight of 325.64 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID119019124
Molecular FormulaC13H6ClF6N
Molecular Weight325.64 g/mol
Exact Mass325.01
IUPAC Name2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2ccccc2C(F)(F)F)c(Cl)n1
InChIInChI=1S/C13H6ClF6N/c14-11-8(5-6-10(21-11)13(18,19)20)7-3-1-2-4-9(7)12(15,16)17/h1-6H
InChIKeyBOFPRKAAMJVWPZ-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.64
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-chloro-3-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 119004079
2-(difluoromethoxy)-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 118854023
2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine
CID 118997710
6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624265
4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 63612354
4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene
CID 54558536
2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134630938
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine (CID 119019124) is 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2ccccc2C(F)(F)F)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BOFPRKAAMJVWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF6N/c14-11-8(5-6-10(21-11)13(18,19)20)7-3-1-2-4-9(7)12(15,16)17/h1-6H.
What are the key properties of 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 325.64 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 119019124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).