3,5-difluoro-6-methyl-3,4-dihydropyridine

C6H7F2N — CID 123445255

IUPAC3,5-difluoro-6-methyl-3,4-dihydropyridine
SMILESCC1=C(F)CC(F)C=N1
InChIInChI=1S/C6H7F2N/c1-4-6(8)2-5(7)3-9-4/h3,5H,2H2,1H3
InChIKeyNOPFVJQOFSDUAN-UHFFFAOYSA-N
MW131.12 g/mol
LogP2.00
Rot. Bonds

About 3,5-difluoro-6-methyl-3,4-dihydropyridine

3,5-difluoro-6-methyl-3,4-dihydropyridine (PubChem CID 123445255) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 3,5-difluoro-6-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3,5-difluoro-6-methyl-3,4-dihydropyridine
PubChem CID123445255
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name3,5-difluoro-6-methyl-3,4-dihydropyridine
SMILESCC1=C(F)CC(F)C=N1
InChIInChI=1S/C6H7F2N/c1-4-6(8)2-5(7)3-9-4/h3,5H,2H2,1H3
InChIKeyNOPFVJQOFSDUAN-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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Related Compounds

3-Fluoro-6-methyl-3,4-dihydropyridine
CID 89071510
6-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 134593924
6-Ethyl-4-fluoro-3,4-dihydropyridine
CID 143491679
5-Fluoro-6-(iodomethyl)-3,4-dihydropyridine
CID 144175178
5-Fluoro-3,6-dimethyl-3,4-dihydropyridine
CID 156370007
6-(Trifluoromethyl)-3,4-dihydropyridine
CID 162568667
6-Ethyl-5-fluoro-3,4-dihydropyridine
CID 144145306
5-Fluoro-6-methyl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 153026525
Ethane;6-ethyl-5-fluoro-3,4-dihydropyridine
CID 144145305

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-methyl-3,4-dihydropyridine?
The IUPAC name of 3,5-difluoro-6-methyl-3,4-dihydropyridine (CID 123445255) is 3,5-difluoro-6-methyl-3,4-dihydropyridine.
What is the SMILES notation for 3,5-difluoro-6-methyl-3,4-dihydropyridine?
The canonical SMILES for 3,5-difluoro-6-methyl-3,4-dihydropyridine is CC1=C(F)CC(F)C=N1.
What is the InChIKey of 3,5-difluoro-6-methyl-3,4-dihydropyridine?
The InChIKey is NOPFVJQOFSDUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c1-4-6(8)2-5(7)3-9-4/h3,5H,2H2,1H3.
What are the key properties of 3,5-difluoro-6-methyl-3,4-dihydropyridine?
3,5-difluoro-6-methyl-3,4-dihydropyridine 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 3,5-difluoro-6-methyl-3,4-dihydropyridine is sourced from PubChem (CID 123445255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).