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

C8H5ClF5N — CID 134664093

IUPAC3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)c1c(CCl)cncc1C(F)(F)F
InChIInChI=1S/C8H5ClF5N/c9-1-4-2-15-3-5(8(12,13)14)6(4)7(10)11/h2-3,7H,1H2
InChIKeyKXBDCANJJUNBTK-UHFFFAOYSA-N
MW245.58 g/mol
LogP3.78
Rot. Bonds2

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

3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine (PubChem CID 134664093) has the molecular formula C8H5ClF5N and a molecular weight of 245.58 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
PubChem CID134664093
Molecular FormulaC8H5ClF5N
Molecular Weight245.58 g/mol
Exact Mass245.00
IUPAC Name3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)c1c(CCl)cncc1C(F)(F)F
InChIInChI=1S/C8H5ClF5N/c9-1-4-2-15-3-5(8(12,13)14)6(4)7(10)11/h2-3,7H,1H2
InChIKeyKXBDCANJJUNBTK-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'}

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Related Compounds

[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134671455
3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130095577
3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 130070510
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118995369
2-chloro-5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 119009541
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119011225
2-(chloromethyl)-3-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine
CID 118826938
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184
4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134683659

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine (CID 134664093) is 3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine is FC(F)c1c(CCl)cncc1C(F)(F)F.
What is the InChIKey of 3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is KXBDCANJJUNBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5N/c9-1-4-2-15-3-5(8(12,13)14)6(4)7(10)11/h2-3,7H,1H2.
What are the key properties of 3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine?
3-(chloromethyl)-4-(difluoromethyl)-5-(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 3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134664093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).