4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine

C8H5ClF5N — CID 134683659

IUPAC4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cnc(C(F)(F)F)cc1CCl
InChIInChI=1S/C8H5ClF5N/c9-2-4-1-6(8(12,13)14)15-3-5(4)7(10)11/h1,3,7H,2H2
InChIKeyCDBBVHGMDVMMBQ-UHFFFAOYSA-N
MW245.58 g/mol
LogP3.78
Rot. Bonds2

About 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine

4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine (PubChem CID 134683659) has the molecular formula C8H5ClF5N and a molecular weight of 245.58 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine
PubChem CID134683659
Molecular FormulaC8H5ClF5N
Molecular Weight245.58 g/mol
Exact Mass245.00
IUPAC Name4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1cnc(C(F)(F)F)cc1CCl
InChIInChI=1S/C8H5ClF5N/c9-2-4-1-6(8(12,13)14)15-3-5(4)7(10)11/h1,3,7H,2H2
InChIKeyCDBBVHGMDVMMBQ-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.58
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine
CID 130893901
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138
2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119019335
4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134682035
3-(chloromethyl)-4-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082120
3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 130070510
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine
CID 155385706
methyl 5-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134664339
[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 118843740

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine (CID 134683659) is 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine is FC(F)c1cnc(C(F)(F)F)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is CDBBVHGMDVMMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5N/c9-2-4-1-6(8(12,13)14)15-3-5(4)7(10)11/h1,3,7H,2H2.
What are the key properties of 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine?
4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 245.58 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134683659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).