2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine

C9H11ClF3N — CID 118478765

IUPAC2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine
SMILESCCN1C=C(C(F)(F)F)C=CC1(C)Cl
InChIInChI=1S/C9H11ClF3N/c1-3-14-6-7(9(11,12)13)4-5-8(14,2)10/h4-6H,3H2,1-2H3
InChIKeySQKOVFCEYXKKEH-UHFFFAOYSA-N
MW225.64 g/mol
LogP3.28
Rot. Bonds1

About 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine

2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine (PubChem CID 118478765) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine
PubChem CID118478765
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC Name2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine
SMILESCCN1C=C(C(F)(F)F)C=CC1(C)Cl
InChIInChI=1S/C9H11ClF3N/c1-3-14-6-7(9(11,12)13)4-5-8(14,2)10/h4-6H,3H2,1-2H3
InChIKeySQKOVFCEYXKKEH-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1,5-diethyl-2-fluoro-2H-pyridine
CID 57228517
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
2-Chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine
CID 118478764
2-Chloro-5-fluoro-1,2-dimethylpyridine
CID 118478768
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
1,1,3-trimethyl-5-(trifluoromethyl)-2H-pyridin-1-ium
CID 123991187
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
1-(2,2-difluoroethyl)-5-methyl-2H-pyridine
CID 130252923
1,5-dimethyl-2-(1,1,2-trifluoroethyl)-2H-pyridine
CID 134534340
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
1-methyl-5-(trifluoromethyl)-2H-pyridine
CID 141417151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine (CID 118478765) is 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine is CCN1C=C(C(F)(F)F)C=CC1(C)Cl.
What is the InChIKey of 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is SQKOVFCEYXKKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N/c1-3-14-6-7(9(11,12)13)4-5-8(14,2)10/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine?
2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 225.64 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 118478765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).