2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine

C23H9Cl6F2N — CID 133090494

IUPAC2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine
SMILESFc1c(-c2c(Cl)cccc2Cl)nc(-c2c(Cl)cccc2Cl)c(F)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H9Cl6F2N/c24-10-4-1-5-11(25)16(10)19-20(30)22(17-12(26)6-2-7-13(17)27)32-23(21(19)31)18-14(28)8-3-9-15(18)29/h1-9H
InChIKeyBCQZOHMNWKXSJL-UHFFFAOYSA-N
MW550.05 g/mol
LogP10.28
Rot. Bonds3

About 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine

2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine (PubChem CID 133090494) has the molecular formula C23H9Cl6F2N and a molecular weight of 550.05 g/mol. Its IUPAC name is 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine.

Molecular Properties

Compound Name2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine
PubChem CID133090494
Molecular FormulaC23H9Cl6F2N
Molecular Weight550.05 g/mol
Exact Mass546.88
IUPAC Name2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine
SMILESFc1c(-c2c(Cl)cccc2Cl)nc(-c2c(Cl)cccc2Cl)c(F)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H9Cl6F2N/c24-10-4-1-5-11(25)16(10)19-20(30)22(17-12(26)6-2-7-13(17)27)32-23(21(19)31)18-14(28)8-3-9-15(18)29/h1-9H
InChIKeyBCQZOHMNWKXSJL-UHFFFAOYSA-N
XLogP10.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.05
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-(2,6-dichlorophenyl)-2,5,6-trifluoropyridine
CID 133090476
2-(2,6-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 118807943
3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133089949
3-(2,6-dichlorophenyl)-2,4-difluoropyridine
CID 133090559
2-(2,6-dichlorophenyl)-6-fluoropyridine-3-carboxylic acid
CID 118836187
6-chloro-2-(2-chloro-6-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617429
1,3-dichloro-2-fluorobenzene;molecular nitrogen;hydrofluoride
CID 174739801
1-chloro-2,3-difluorobenzene
CID 157449386
3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine
CID 71514034
6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 23311127
4,5-dibromo-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 131867562
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine?
The IUPAC name of 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine (CID 133090494) is 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine.
What is the SMILES notation for 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine?
The canonical SMILES for 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine is Fc1c(-c2c(Cl)cccc2Cl)nc(-c2c(Cl)cccc2Cl)c(F)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine?
The InChIKey is BCQZOHMNWKXSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H9Cl6F2N/c24-10-4-1-5-11(25)16(10)19-20(30)22(17-12(26)6-2-7-13(17)27)32-23(21(19)31)18-14(28)8-3-9-15(18)29/h1-9H.
What are the key properties of 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine?
2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine has a molecular weight of 550.05 g/mol, XLogP of 10.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,6-dichlorophenyl)-3,5-difluoropyridine is sourced from PubChem (CID 133090494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).