methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate

C13H16F2N2O2 — CID 169238594

IUPACmethyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H16F2N2O2/c1-9-7-10(12(18)19-2)16-11(8-9)17-5-3-13(14,15)4-6-17/h7-8H,3-6H2,1-2H3
InChIKeyCAPDYYPFVGJJFL-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.41
Rot. Bonds2

About methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate

methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate (PubChem CID 169238594) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
PubChem CID169238594
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)cc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H16F2N2O2/c1-9-7-10(12(18)19-2)16-11(8-9)17-5-3-13(14,15)4-6-17/h7-8H,3-6H2,1-2H3
InChIKeyCAPDYYPFVGJJFL-UHFFFAOYSA-N
XLogP2.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-6-piperazin-1-ylpyridine-2-carboxylate
CID 174326675
methyl 4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxylate
CID 172634298
2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine
CID 171542202
methyl 5-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine-4-carboxylate
CID 175640260
dimethyl 5-(4,4-difluoropiperidin-1-yl)benzene-1,3-dicarboxylate
CID 57496007
methyl 8-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 171484582
1-[6-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]ethanone
CID 169266288
methyl 6-bromo-5-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine-2-carboxylate
CID 178088282
methyl 6-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxylate
CID 172868881
methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate
CID 150740136
dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
CID 138673928
9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 169155290

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate (CID 169238594) is methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate is COC(=O)c1cc(C)cc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate?
The InChIKey is CAPDYYPFVGJJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-9-7-10(12(18)19-2)16-11(8-9)17-5-3-13(14,15)4-6-17/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate?
methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 169238594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).