5-chloro-5-(trifluoromethyl)-2H-pyridine

C6H5ClF3N — CID 19778882

IUPAC5-chloro-5-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)C1(Cl)C=CCN=C1
InChIInChI=1S/C6H5ClF3N/c7-5(6(8,9)10)2-1-3-11-4-5/h1-2,4H,3H2
InChIKeyJNQPKCYBBWXKBR-UHFFFAOYSA-N
MW183.56 g/mol
LogP2.17
Rot. Bonds

About 5-chloro-5-(trifluoromethyl)-2H-pyridine

5-chloro-5-(trifluoromethyl)-2H-pyridine (PubChem CID 19778882) has the molecular formula C6H5ClF3N and a molecular weight of 183.56 g/mol. Its IUPAC name is 5-chloro-5-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name5-chloro-5-(trifluoromethyl)-2H-pyridine
PubChem CID19778882
Molecular FormulaC6H5ClF3N
Molecular Weight183.56 g/mol
Exact Mass183.01
IUPAC Name5-chloro-5-(trifluoromethyl)-2H-pyridine
SMILESFC(F)(F)C1(Cl)C=CCN=C1
InChIInChI=1S/C6H5ClF3N/c7-5(6(8,9)10)2-1-3-11-4-5/h1-2,4H,3H2
InChIKeyJNQPKCYBBWXKBR-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.56
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-5-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 5-chloro-5-(trifluoromethyl)-2H-pyridine (CID 19778882) is 5-chloro-5-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 5-chloro-5-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 5-chloro-5-(trifluoromethyl)-2H-pyridine is FC(F)(F)C1(Cl)C=CCN=C1.
What is the InChIKey of 5-chloro-5-(trifluoromethyl)-2H-pyridine?
The InChIKey is JNQPKCYBBWXKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N/c7-5(6(8,9)10)2-1-3-11-4-5/h1-2,4H,3H2.
What are the key properties of 5-chloro-5-(trifluoromethyl)-2H-pyridine?
5-chloro-5-(trifluoromethyl)-2H-pyridine has a molecular weight of 183.56 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 19778882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).