2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine

C9H12F3N — CID 143502253

IUPAC2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine
SMILESCCC1C=CC=C(C(F)(F)F)N1C
InChIInChI=1S/C9H12F3N/c1-3-7-5-4-6-8(13(7)2)9(10,11)12/h4-7H,3H2,1-2H3
InChIKeyASCBFILYGPFPKU-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.71
Rot. Bonds1

About 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine

2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine (PubChem CID 143502253) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine
PubChem CID143502253
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine
SMILESCCC1C=CC=C(C(F)(F)F)N1C
InChIInChI=1S/C9H12F3N/c1-3-7-5-4-6-8(13(7)2)9(10,11)12/h4-7H,3H2,1-2H3
InChIKeyASCBFILYGPFPKU-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2,6-lutidine
CID 68311864
N-butyl-1-fluoro-N-(fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 22638271
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
7-But-3-enyl-4-fluoro-7-azabicyclo[2.2.1]hepta-1(6),2-diene
CID 67741576
7-But-3-enyl-4-(trifluoromethyl)-7-azabicyclo[2.2.1]hepta-1(6),2-diene
CID 67741633
6-but-1-ynyl-2-(fluoromethyl)-1-methyl-2H-pyridine
CID 69376464
1-fluoro-N-(1,1,2,2,2-pentafluoroethyl)-N-propylcyclohexa-2,4-dien-1-amine
CID 87882835
1-fluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 88041910
1-fluoro-N-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexa-2,4-dien-1-amine
CID 88042544
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine (CID 143502253) is 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine is CCC1C=CC=C(C(F)(F)F)N1C.
What is the InChIKey of 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine?
The InChIKey is ASCBFILYGPFPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-7-5-4-6-8(13(7)2)9(10,11)12/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine?
2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine has a molecular weight of 191.20 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-6-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 143502253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).