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

C8H5F6N — CID 133104534

IUPAC5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine
SMILESCc1c(F)ncc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F6N/c1-3-5(8(12,13)14)4(6(9)10)2-15-7(3)11/h2,6H,1H3
InChIKeyLPNZVJFHXZUZLH-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.49
Rot. Bonds1

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

5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine (PubChem CID 133104534) has the molecular formula C8H5F6N and a molecular weight of 229.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine
PubChem CID133104534
Molecular FormulaC8H5F6N
Molecular Weight229.12 g/mol
Exact Mass229.03
IUPAC Name5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine
SMILESCc1c(F)ncc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F6N/c1-3-5(8(12,13)14)4(6(9)10)2-15-7(3)11/h2,6H,1H3
InChIKeyLPNZVJFHXZUZLH-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-(trifluoromethyl)pyridine
CID 130081733
5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine
CID 130079918
5-(difluoromethyl)-2-methoxy-4-methyl-3-(trifluoromethyl)pyridine
CID 133100579
5-(difluoromethyl)-2-fluoro-4-methylpyridin-3-amine
CID 130103932
5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082471
5-(difluoromethyl)-4-methoxy-2-methyl-3-(trifluoromethyl)pyridine
CID 133099909
5-(difluoromethyl)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
5-(difluoromethyl)-3-fluoro-2,4-dimethylpyridine
CID 130101103
5-(difluoromethyl)-4-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104330
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 118990855
[5-(difluoromethyl)-2-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133098904
methyl 2-[5-(difluoromethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029227

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine (CID 133104534) is 5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine is Cc1c(F)ncc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is LPNZVJFHXZUZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6N/c1-3-5(8(12,13)14)4(6(9)10)2-15-7(3)11/h2,6H,1H3.
What are the key properties of 5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine?
5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 229.12 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-fluoro-3-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 133104534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).