5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol

C6H9F2NO2 — CID 135016749

IUPAC5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol
SMILESCC1=NCC(O)C(O)C1(F)F
InChIInChI=1S/C6H9F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h4-5,10-11H,2H2,1H3
InChIKeyFMVRIVAPXROLNV-UHFFFAOYSA-N
MW165.14 g/mol
LogP-0.18
Rot. Bonds

About 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol

5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol (PubChem CID 135016749) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol.

Molecular Properties

Compound Name5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol
PubChem CID135016749
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol
SMILESCC1=NCC(O)C(O)C1(F)F
InChIInChI=1S/C6H9F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h4-5,10-11H,2H2,1H3
InChIKeyFMVRIVAPXROLNV-UHFFFAOYSA-N
XLogP-0.18
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R,5R)-6-(fluoromethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol
CID 10352013

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol?
The IUPAC name of 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol (CID 135016749) is 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol.
What is the SMILES notation for 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol?
The canonical SMILES for 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol is CC1=NCC(O)C(O)C1(F)F.
What is the InChIKey of 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol?
The InChIKey is FMVRIVAPXROLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h4-5,10-11H,2H2,1H3.
What are the key properties of 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol?
5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol has a molecular weight of 165.14 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-6-methyl-3,4-dihydro-2H-pyridine-3,4-diol is sourced from PubChem (CID 135016749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).