methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate

C14H17F3N2O3 — CID 129398765

IUPACmethyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1OC
InChIInChI=1S/C14H17F3N2O3/c1-21-12-10(13(20)22-2)5-6-11(18-12)19-7-3-4-9(8-19)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3/t9-/m0/s1
InChIKeyOMISFKFNLDQCIF-VIFPVBQESA-N
MW318.30 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate

methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 129398765) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID129398765
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Namemethyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1OC
InChIInChI=1S/C14H17F3N2O3/c1-21-12-10(13(20)22-2)5-6-11(18-12)19-7-3-4-9(8-19)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3/t9-/m0/s1
InChIKeyOMISFKFNLDQCIF-VIFPVBQESA-N
XLogP2.66
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate (CID 129398765) is methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1OC.
What is the InChIKey of methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is OMISFKFNLDQCIF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-21-12-10(13(20)22-2)5-6-11(18-12)19-7-3-4-9(8-19)14(15,16)17/h5-6,9H,3-4,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate?
methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 318.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 129398765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).