2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine

C6H4ClF4N — CID 70470027

IUPAC2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine
SMILESFC1(Cl)C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C6H4ClF4N/c7-5(8)2-1-4(3-12-5)6(9,10)11/h1-3,12H
InChIKeyOPUTXBCUPDTLJT-UHFFFAOYSA-N
MW201.55 g/mol
LogP2.45
Rot. Bonds

About 2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine

2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine (PubChem CID 70470027) has the molecular formula C6H4ClF4N and a molecular weight of 201.55 g/mol. Its IUPAC name is 2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine.

Molecular Properties

Compound Name2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine
PubChem CID70470027
Molecular FormulaC6H4ClF4N
Molecular Weight201.55 g/mol
Exact Mass201.00
IUPAC Name2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine
SMILESFC1(Cl)C=CC(C(F)(F)F)=CN1
InChIInChI=1S/C6H4ClF4N/c7-5(8)2-1-4(3-12-5)6(9,10)11/h1-3,12H
InChIKeyOPUTXBCUPDTLJT-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
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-2-fluoro-5-(trifluoromethyl)-1H-pyridine?
The IUPAC name of 2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine (CID 70470027) is 2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine.
What is the SMILES notation for 2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine?
The canonical SMILES for 2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine is FC1(Cl)C=CC(C(F)(F)F)=CN1.
What is the InChIKey of 2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine?
The InChIKey is OPUTXBCUPDTLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF4N/c7-5(8)2-1-4(3-12-5)6(9,10)11/h1-3,12H.
What are the key properties of 2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine?
2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine has a molecular weight of 201.55 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-5-(trifluoromethyl)-1H-pyridine is sourced from PubChem (CID 70470027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).