methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate

C13H16F2N2O2 — CID 167493545

IUPACmethyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H16F2N2O2/c1-19-12(18)11-4-2-3-10(16-11)9-17-7-5-13(14,15)6-8-17/h2-4H,5-9H2,1H3
InChIKeyFZIPGBJYYQTVPR-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.10
Rot. Bonds3

About methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate

methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate (PubChem CID 167493545) 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)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate
PubChem CID167493545
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namemethyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H16F2N2O2/c1-19-12(18)11-4-2-3-10(16-11)9-17-7-5-13(14,15)6-8-17/h2-4H,5-9H2,1H3
InChIKeyFZIPGBJYYQTVPR-UHFFFAOYSA-N
XLogP2.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate (CID 167493545) is methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCC(F)(F)CC2)n1.
What is the InChIKey of methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate?
The InChIKey is FZIPGBJYYQTVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-19-12(18)11-4-2-3-10(16-11)9-17-7-5-13(14,15)6-8-17/h2-4H,5-9H2,1H3.
What are the key properties of methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(4,4-difluoropiperidin-1-yl)methyl]pyridine-2-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 2.10, 3 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)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 167493545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).