2,2,3-trifluoro-4-methyl-1H-pyridine

C6H6F3N — CID 151537173

IUPAC2,2,3-trifluoro-4-methyl-1H-pyridine
SMILESCC1=C(F)C(F)(F)NC=C1
InChIInChI=1S/C6H6F3N/c1-4-2-3-10-6(8,9)5(4)7/h2-3,10H,1H3
InChIKeyPXRWBIJQQQRNKR-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.94
Rot. Bonds

About 2,2,3-trifluoro-4-methyl-1H-pyridine

2,2,3-trifluoro-4-methyl-1H-pyridine (PubChem CID 151537173) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 2,2,3-trifluoro-4-methyl-1H-pyridine.

Molecular Properties

Compound Name2,2,3-trifluoro-4-methyl-1H-pyridine
PubChem CID151537173
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name2,2,3-trifluoro-4-methyl-1H-pyridine
SMILESCC1=C(F)C(F)(F)NC=C1
InChIInChI=1S/C6H6F3N/c1-4-2-3-10-6(8,9)5(4)7/h2-3,10H,1H3
InChIKeyPXRWBIJQQQRNKR-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-4-methyl-1H-pyridine?
The IUPAC name of 2,2,3-trifluoro-4-methyl-1H-pyridine (CID 151537173) is 2,2,3-trifluoro-4-methyl-1H-pyridine.
What is the SMILES notation for 2,2,3-trifluoro-4-methyl-1H-pyridine?
The canonical SMILES for 2,2,3-trifluoro-4-methyl-1H-pyridine is CC1=C(F)C(F)(F)NC=C1.
What is the InChIKey of 2,2,3-trifluoro-4-methyl-1H-pyridine?
The InChIKey is PXRWBIJQQQRNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c1-4-2-3-10-6(8,9)5(4)7/h2-3,10H,1H3.
What are the key properties of 2,2,3-trifluoro-4-methyl-1H-pyridine?
2,2,3-trifluoro-4-methyl-1H-pyridine has a molecular weight of 149.11 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-4-methyl-1H-pyridine is sourced from PubChem (CID 151537173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).