2-ethyl-3-(2,2,2-trifluoroethyl)pyridine

C9H10F3N — CID 177328256

IUPAC2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
SMILESCCc1ncccc1CC(F)(F)F
InChIInChI=1S/C9H10F3N/c1-2-8-7(4-3-5-13-8)6-9(10,11)12/h3-5H,2,6H2,1H3
InChIKeyMAKCWKMGCAJAJY-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.75
Rot. Bonds2

About 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine

2-ethyl-3-(2,2,2-trifluoroethyl)pyridine (PubChem CID 177328256) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine.

Molecular Properties

Compound Name2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
PubChem CID177328256
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
SMILESCCc1ncccc1CC(F)(F)F
InChIInChI=1S/C9H10F3N/c1-2-8-7(4-3-5-13-8)6-9(10,11)12/h3-5H,2,6H2,1H3
InChIKeyMAKCWKMGCAJAJY-UHFFFAOYSA-N
XLogP2.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-diethylpyridine
CID 14747123
3-(chloromethyl)-2-ethylpyridine;hydrochloride
CID 142546922
N-[2-(2-ethyl-3-pyridinyl)ethyl]-2-methylpropan-2-amine
CID 155163873
2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid
CID 159116546
3-ethyl-2-(iodomethyl)pyridine
CID 166542162
3-tert-butyl-2-ethylpyridine
CID 20664467
3-ethyl-2-(trifluoromethoxy)pyridine
CID 166104126
2-ethyl-5-[(2-ethyl-3-pyridinyl)methyl]-3-fluoropyridine
CID 138705967
2-ethyl-3-(furan-2-ylmethyl)pyridine
CID 173468661
1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one
CID 82729556
2,3-diethylpyridine;bis(2,4,6-trimethylaniline)
CID 157436995
1-(2-ethoxypropan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
CID 142491564

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine?
The IUPAC name of 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine (CID 177328256) is 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine.
What is the SMILES notation for 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine?
The canonical SMILES for 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine is CCc1ncccc1CC(F)(F)F.
What is the InChIKey of 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine?
The InChIKey is MAKCWKMGCAJAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-2-8-7(4-3-5-13-8)6-9(10,11)12/h3-5H,2,6H2,1H3.
What are the key properties of 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine?
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine has a molecular weight of 189.18 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2,2,2-trifluoroethyl)pyridine is sourced from PubChem (CID 177328256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).