2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine

C8H9ClF3N — CID 118478764

IUPAC2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine
SMILESCN1C=C(C(F)(F)F)C=CC1(C)Cl
InChIInChI=1S/C8H9ClF3N/c1-7(9)4-3-6(5-13(7)2)8(10,11)12/h3-5H,1-2H3
InChIKeyQJOOTCCSJJVCCA-UHFFFAOYSA-N
MW211.61 g/mol
LogP2.89
Rot. Bonds

About 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine

2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine (PubChem CID 118478764) has the molecular formula C8H9ClF3N and a molecular weight of 211.61 g/mol. Its IUPAC name is 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine
PubChem CID118478764
Molecular FormulaC8H9ClF3N
Molecular Weight211.61 g/mol
Exact Mass211.04
IUPAC Name2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine
SMILESCN1C=C(C(F)(F)F)C=CC1(C)Cl
InChIInChI=1S/C8H9ClF3N/c1-7(9)4-3-6(5-13(7)2)8(10,11)12/h3-5H,1-2H3
InChIKeyQJOOTCCSJJVCCA-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine (CID 118478764) is 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine is CN1C=C(C(F)(F)F)C=CC1(C)Cl.
What is the InChIKey of 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine?
The InChIKey is QJOOTCCSJJVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N/c1-7(9)4-3-6(5-13(7)2)8(10,11)12/h3-5H,1-2H3.
What are the key properties of 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine?
2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine has a molecular weight of 211.61 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,2-dimethyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 118478764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).