4,4-difluoro-2-methyl-3H-pyridine

C6H7F2N — CID 175987026

IUPAC4,4-difluoro-2-methyl-3H-pyridine
SMILESCC1=NC=CC(F)(F)C1
InChIInChI=1S/C6H7F2N/c1-5-4-6(7,8)2-3-9-5/h2-3H,4H2,1H3
InChIKeyIIZVEXFNAGSEJB-UHFFFAOYSA-N
MW131.12 g/mol
LogP2.00
Rot. Bonds

About 4,4-difluoro-2-methyl-3H-pyridine

4,4-difluoro-2-methyl-3H-pyridine (PubChem CID 175987026) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 4,4-difluoro-2-methyl-3H-pyridine.

Molecular Properties

Compound Name4,4-difluoro-2-methyl-3H-pyridine
PubChem CID175987026
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name4,4-difluoro-2-methyl-3H-pyridine
SMILESCC1=NC=CC(F)(F)C1
InChIInChI=1S/C6H7F2N/c1-5-4-6(7,8)2-3-9-5/h2-3H,4H2,1H3
InChIKeyIIZVEXFNAGSEJB-UHFFFAOYSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methyl-3H-pyridine?
The IUPAC name of 4,4-difluoro-2-methyl-3H-pyridine (CID 175987026) is 4,4-difluoro-2-methyl-3H-pyridine.
What is the SMILES notation for 4,4-difluoro-2-methyl-3H-pyridine?
The canonical SMILES for 4,4-difluoro-2-methyl-3H-pyridine is CC1=NC=CC(F)(F)C1.
What is the InChIKey of 4,4-difluoro-2-methyl-3H-pyridine?
The InChIKey is IIZVEXFNAGSEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c1-5-4-6(7,8)2-3-9-5/h2-3H,4H2,1H3.
What are the key properties of 4,4-difluoro-2-methyl-3H-pyridine?
4,4-difluoro-2-methyl-3H-pyridine has a molecular weight of 131.12 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methyl-3H-pyridine is sourced from PubChem (CID 175987026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).