2-fluoro-4-methyl-6-(trifluoromethyl)pyridine

C7H5F4N — CID 89320814

IUPAC2-fluoro-4-methyl-6-(trifluoromethyl)pyridine
SMILESCc1cc(F)nc(C(F)(F)F)c1
InChIInChI=1S/C7H5F4N/c1-4-2-5(7(9,10)11)12-6(8)3-4/h2-3H,1H3
InChIKeyXBKLTRJTWPKRMQ-UHFFFAOYSA-N
MW179.12 g/mol
LogP2.55
Rot. Bonds

About 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine

2-fluoro-4-methyl-6-(trifluoromethyl)pyridine (PubChem CID 89320814) has the molecular formula C7H5F4N and a molecular weight of 179.12 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-(trifluoromethyl)pyridine
PubChem CID89320814
Molecular FormulaC7H5F4N
Molecular Weight179.12 g/mol
Exact Mass179.04
IUPAC Name2-fluoro-4-methyl-6-(trifluoromethyl)pyridine
SMILESCc1cc(F)nc(C(F)(F)F)c1
InChIInChI=1S/C7H5F4N/c1-4-2-5(7(9,10)11)12-6(8)3-4/h2-3H,1H3
InChIKeyXBKLTRJTWPKRMQ-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine (CID 89320814) is 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine is Cc1cc(F)nc(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine?
The InChIKey is XBKLTRJTWPKRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N/c1-4-2-5(7(9,10)11)12-6(8)3-4/h2-3H,1H3.
What are the key properties of 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine?
2-fluoro-4-methyl-6-(trifluoromethyl)pyridine has a molecular weight of 179.12 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 89320814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).