4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine

C8H4ClF6N — CID 130082133

IUPAC4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1cnc(C(F)F)c(C(F)(F)F)c1CCl
InChIInChI=1S/C8H4ClF6N/c9-1-3-4(10)2-16-6(7(11)12)5(3)8(13,14)15/h2,7H,1H2
InChIKeyQPKMAOSVMORCJD-UHFFFAOYSA-N
MW263.57 g/mol
LogP3.92
Rot. Bonds2

About 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine

4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine (PubChem CID 130082133) has the molecular formula C8H4ClF6N and a molecular weight of 263.57 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine
PubChem CID130082133
Molecular FormulaC8H4ClF6N
Molecular Weight263.57 g/mol
Exact Mass262.99
IUPAC Name4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1cnc(C(F)F)c(C(F)(F)F)c1CCl
InChIInChI=1S/C8H4ClF6N/c9-1-3-4(10)2-16-6(7(11)12)5(3)8(13,14)15/h2,7H,1H2
InChIKeyQPKMAOSVMORCJD-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 130082230
2-[3-(chloromethyl)-2-(difluoromethyl)-5-fluoro-4-pyridinyl]acetic acid
CID 130082407
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 130085374
5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106126
ethyl 2-[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104227
2-[2-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118814850
[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084908
4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile
CID 130076160
5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine
CID 134670864
4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099347
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine (CID 130082133) is 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine is Fc1cnc(C(F)F)c(C(F)(F)F)c1CCl.
What is the InChIKey of 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine?
The InChIKey is QPKMAOSVMORCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6N/c9-1-3-4(10)2-16-6(7(11)12)5(3)8(13,14)15/h2,7H,1H2.
What are the key properties of 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine?
4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine has a molecular weight of 263.57 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 130082133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).