5,6-difluoro-3-methyl-2,3-dihydropyridine

C6H7F2N — CID 90697100

IUPAC5,6-difluoro-3-methyl-2,3-dihydropyridine
SMILESCC1C=C(F)C(F)=NC1
InChIInChI=1S/C6H7F2N/c1-4-2-5(7)6(8)9-3-4/h2,4H,3H2,1H3
InChIKeyCPPWPTKBXNAOGP-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.86
Rot. Bonds

About 5,6-difluoro-3-methyl-2,3-dihydropyridine

5,6-difluoro-3-methyl-2,3-dihydropyridine (PubChem CID 90697100) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 5,6-difluoro-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5,6-difluoro-3-methyl-2,3-dihydropyridine
PubChem CID90697100
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name5,6-difluoro-3-methyl-2,3-dihydropyridine
SMILESCC1C=C(F)C(F)=NC1
InChIInChI=1S/C6H7F2N/c1-4-2-5(7)6(8)9-3-4/h2,4H,3H2,1H3
InChIKeyCPPWPTKBXNAOGP-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Fluoro-3-methyl-2,3-dihydropyridine
CID 123919099
5-Fluoro-3-methyl-2,3-dihydropyridine
CID 143818517
5-Fluoro-3,6-dimethyl-2,3-dihydropyridine
CID 146561026
2,3,5,6-Tetrafluoro-2,3-dihydropyridine
CID 163501932
5,6-Difluoro-4-methyl-2,3-dihydropyridine
CID 169845954

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-methyl-2,3-dihydropyridine?
The IUPAC name of 5,6-difluoro-3-methyl-2,3-dihydropyridine (CID 90697100) is 5,6-difluoro-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for 5,6-difluoro-3-methyl-2,3-dihydropyridine?
The canonical SMILES for 5,6-difluoro-3-methyl-2,3-dihydropyridine is CC1C=C(F)C(F)=NC1.
What is the InChIKey of 5,6-difluoro-3-methyl-2,3-dihydropyridine?
The InChIKey is CPPWPTKBXNAOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c1-4-2-5(7)6(8)9-3-4/h2,4H,3H2,1H3.
What are the key properties of 5,6-difluoro-3-methyl-2,3-dihydropyridine?
5,6-difluoro-3-methyl-2,3-dihydropyridine has a molecular weight of 131.12 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 90697100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).