3,5-difluoro-6-methyl-1,2-dihydropyridine

C6H7F2N — CID 134181788

IUPAC3,5-difluoro-6-methyl-1,2-dihydropyridine
SMILESCC1=C(F)C=C(F)CN1
InChIInChI=1S/C6H7F2N/c1-4-6(8)2-5(7)3-9-4/h2,9H,3H2,1H3
InChIKeyDCVOBDNKSDEMJV-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.64
Rot. Bonds

About 3,5-difluoro-6-methyl-1,2-dihydropyridine

3,5-difluoro-6-methyl-1,2-dihydropyridine (PubChem CID 134181788) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 3,5-difluoro-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3,5-difluoro-6-methyl-1,2-dihydropyridine
PubChem CID134181788
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name3,5-difluoro-6-methyl-1,2-dihydropyridine
SMILESCC1=C(F)C=C(F)CN1
InChIInChI=1S/C6H7F2N/c1-4-6(8)2-5(7)3-9-4/h2,9H,3H2,1H3
InChIKeyDCVOBDNKSDEMJV-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-methyl-1,2-dihydropyridine?
The IUPAC name of 3,5-difluoro-6-methyl-1,2-dihydropyridine (CID 134181788) is 3,5-difluoro-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3,5-difluoro-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 3,5-difluoro-6-methyl-1,2-dihydropyridine is CC1=C(F)C=C(F)CN1.
What is the InChIKey of 3,5-difluoro-6-methyl-1,2-dihydropyridine?
The InChIKey is DCVOBDNKSDEMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c1-4-6(8)2-5(7)3-9-4/h2,9H,3H2,1H3.
What are the key properties of 3,5-difluoro-6-methyl-1,2-dihydropyridine?
3,5-difluoro-6-methyl-1,2-dihydropyridine has a molecular weight of 131.12 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 134181788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).