2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

C18H19ClF2N2O2 — CID 68596326

IUPAC2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2c(F)cc(Cl)cc2F)n1
InChIInChI=1S/C18H19ClF2N2O2/c1-11-4-5-16(24-10-12-3-2-6-22-9-12)18(23-11)25-17-14(20)7-13(19)8-15(17)21/h4-5,7-8,12,22H,2-3,6,9-10H2,1H3/t12-/m0/s1
InChIKeySZFMCRLLEPJPOZ-LBPRGKRZSA-N
MW368.81 g/mol
LogP4.49
Rot. Bonds5

About 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (PubChem CID 68596326) has the molecular formula C18H19ClF2N2O2 and a molecular weight of 368.81 g/mol. Its IUPAC name is 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
PubChem CID68596326
Molecular FormulaC18H19ClF2N2O2
Molecular Weight368.81 g/mol
Exact Mass368.11
IUPAC Name2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2c(F)cc(Cl)cc2F)n1
InChIInChI=1S/C18H19ClF2N2O2/c1-11-4-5-16(24-10-12-3-2-6-22-9-12)18(23-11)25-17-14(20)7-13(19)8-15(17)21/h4-5,7-8,12,22H,2-3,6,9-10H2,1H3/t12-/m0/s1
InChIKeySZFMCRLLEPJPOZ-LBPRGKRZSA-N
XLogP4.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (CID 68596326) is 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is Cc1ccc(OC[C@H]2CCCNC2)c(Oc2c(F)cc(Cl)cc2F)n1.
What is the InChIKey of 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The InChIKey is SZFMCRLLEPJPOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClF2N2O2/c1-11-4-5-16(24-10-12-3-2-6-22-9-12)18(23-11)25-17-14(20)7-13(19)8-15(17)21/h4-5,7-8,12,22H,2-3,6,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine has a molecular weight of 368.81 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 68596326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).