4-ethyl-2,3-bis(trifluoromethyl)pyridine

C9H7F6N — CID 133094685

IUPAC4-ethyl-2,3-bis(trifluoromethyl)pyridine
SMILESCCc1ccnc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H7F6N/c1-2-5-3-4-16-7(9(13,14)15)6(5)8(10,11)12/h3-4H,2H2,1H3
InChIKeyFZNUFXQLXKPOBE-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.68
Rot. Bonds1

About 4-ethyl-2,3-bis(trifluoromethyl)pyridine

4-ethyl-2,3-bis(trifluoromethyl)pyridine (PubChem CID 133094685) has the molecular formula C9H7F6N and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-ethyl-2,3-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-ethyl-2,3-bis(trifluoromethyl)pyridine
PubChem CID133094685
Molecular FormulaC9H7F6N
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC Name4-ethyl-2,3-bis(trifluoromethyl)pyridine
SMILESCCc1ccnc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H7F6N/c1-2-5-3-4-16-7(9(13,14)15)6(5)8(10,11)12/h3-4H,2H2,1H3
InChIKeyFZNUFXQLXKPOBE-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate
CID 66916945
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791
1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
[4-(2-methylpropyl)-2-(trifluoromethyl)-3-pyridinyl] acetate
CID 174519681
3-chloro-4-ethylsulfanyl-2-(trifluoromethyl)pyridine
CID 126480955
4-(bromomethyl)-3-chloro-2-(trifluoromethyl)pyridine
CID 118704131
3-propyl-2-(trifluoromethyl)pyridine
CID 19881646
1-ethyl-2,3-bis(trifluoromethyl)-4-(trifluoromethylsulfanyl)benzene
CID 135743105
1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
2-bromo-4-ethyl-3-fluoropyridine
CID 130138685
ethyl 2-[3-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097243

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-ethyl-2,3-bis(trifluoromethyl)pyridine (CID 133094685) is 4-ethyl-2,3-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-ethyl-2,3-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-ethyl-2,3-bis(trifluoromethyl)pyridine is CCc1ccnc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-ethyl-2,3-bis(trifluoromethyl)pyridine?
The InChIKey is FZNUFXQLXKPOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N/c1-2-5-3-4-16-7(9(13,14)15)6(5)8(10,11)12/h3-4H,2H2,1H3.
What are the key properties of 4-ethyl-2,3-bis(trifluoromethyl)pyridine?
4-ethyl-2,3-bis(trifluoromethyl)pyridine has a molecular weight of 243.15 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 133094685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).