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

C18H19ClF2N2O2 — CID 68596041

IUPAC2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2c(F)ccc(Cl)c2F)n1
InChIInChI=1S/C18H19ClF2N2O2/c1-11-4-7-15(24-10-12-3-2-8-22-9-12)18(23-11)25-17-14(20)6-5-13(19)16(17)21/h4-7,12,22H,2-3,8-10H2,1H3/t12-/m0/s1
InChIKeyOCRSGYIXSPFOPB-LBPRGKRZSA-N
MW368.81 g/mol
LogP4.49
Rot. Bonds5

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

2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (PubChem CID 68596041) has the molecular formula C18H19ClF2N2O2 and a molecular weight of 368.81 g/mol. Its IUPAC name is 2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
PubChem CID68596041
Molecular FormulaC18H19ClF2N2O2
Molecular Weight368.81 g/mol
Exact Mass368.11
IUPAC Name2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2c(F)ccc(Cl)c2F)n1
InChIInChI=1S/C18H19ClF2N2O2/c1-11-4-7-15(24-10-12-3-2-8-22-9-12)18(23-11)25-17-14(20)6-5-13(19)16(17)21/h4-7,12,22H,2-3,8-10H2,1H3/t12-/m0/s1
InChIKeyOCRSGYIXSPFOPB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (CID 68596041) is 2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is Cc1ccc(OC[C@H]2CCCNC2)c(Oc2c(F)ccc(Cl)c2F)n1.
What is the InChIKey of 2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The InChIKey is OCRSGYIXSPFOPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClF2N2O2/c1-11-4-7-15(24-10-12-3-2-8-22-9-12)18(23-11)25-17-14(20)6-5-13(19)16(17)21/h4-7,12,22H,2-3,8-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
2-(3-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-(3-chloro-2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 68596041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).