2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine

C8H6Cl2F3N — CID 139336058

IUPAC2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine
SMILESCCc1cc(C(F)(F)F)c(Cl)nc1Cl
InChIInChI=1S/C8H6Cl2F3N/c1-2-4-3-5(8(11,12)13)7(10)14-6(4)9/h3H,2H2,1H3
InChIKeyPRELEUJGRJAWAB-UHFFFAOYSA-N
MW244.04 g/mol
LogP3.97
Rot. Bonds1

About 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine

2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine (PubChem CID 139336058) has the molecular formula C8H6Cl2F3N and a molecular weight of 244.04 g/mol. Its IUPAC name is 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine
PubChem CID139336058
Molecular FormulaC8H6Cl2F3N
Molecular Weight244.04 g/mol
Exact Mass242.98
IUPAC Name2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine
SMILESCCc1cc(C(F)(F)F)c(Cl)nc1Cl
InChIInChI=1S/C8H6Cl2F3N/c1-2-4-3-5(8(11,12)13)7(10)14-6(4)9/h3H,2H2,1H3
InChIKeyPRELEUJGRJAWAB-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 53.97
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

2,8-dichloro-3-ethyl-5-(trifluoromethyl)quinoline
CID 55225059
4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine
CID 75132224
5-(bromomethyl)-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 130075134
2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline
CID 63531533
1-ethyl-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135742868
2-chloro-5-fluoro-6-methyl-3-(trifluoromethyl)pyridine
CID 145012968
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
5-chloro-2-(difluoromethyl)-8-ethyl-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 134457762
2,5,7-trichloro-3-ethyl-6-fluoroquinoline
CID 107579425
4-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 135374377
4-ethyl-2,5-bis(trifluoromethyl)phenol
CID 135742857
3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
CID 176694271

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine (CID 139336058) is 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine is CCc1cc(C(F)(F)F)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine?
The InChIKey is PRELEUJGRJAWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3N/c1-2-4-3-5(8(11,12)13)7(10)14-6(4)9/h3H,2H2,1H3.
What are the key properties of 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine?
2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine has a molecular weight of 244.04 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 139336058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).