[3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate

C23H22ClNO5 — CID 95781076

IUPAC[3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1nc(O[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H22ClNO5/c1-16(17-8-4-3-5-9-17)30-22-13-12-18(24)19(25-22)14-29-23(26)15-28-21-11-7-6-10-20(21)27-2/h3-13,16H,14-15H2,1-2H3/t16-/m0/s1
InChIKeyZDLSWCVIGOMSRT-INIZCTEOSA-N
MW427.88 g/mol
LogP5.01
Rot. Bonds9

About [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate

[3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate (PubChem CID 95781076) has the molecular formula C23H22ClNO5 and a molecular weight of 427.88 g/mol. Its IUPAC name is [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate
PubChem CID95781076
Molecular FormulaC23H22ClNO5
Molecular Weight427.88 g/mol
Exact Mass427.12
IUPAC Name[3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1nc(O[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C23H22ClNO5/c1-16(17-8-4-3-5-9-17)30-22-13-12-18(24)19(25-22)14-29-23(26)15-28-21-11-7-6-10-20(21)27-2/h3-13,16H,14-15H2,1-2H3/t16-/m0/s1
InChIKeyZDLSWCVIGOMSRT-INIZCTEOSA-N
XLogP5.01
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.88
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate with MolForge

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Related Compounds

Pirifibrate
CID 68720
(2E)-2-[[4-[(6-chloro-2-pyridinyl)methoxy]phenyl]-cyclohexylmethoxy]iminopropanoic acid
CID 10598029
Methyl 2-[4-(6-chloroquinolin-2-yl)oxyphenoxy]propanoate
CID 12882385
[6-(4-fluorophenoxy)-2-pyridinyl]methyl (E)-4-(4-chlorophenyl)-2-propan-2-ylbut-3-enoate
CID 20293463
[6-(4-Fluorophenoxy)-2-pyridyl]methyl 4-(4-chlorophenyl)-2-isopropyl-3-butenoate
CID 53733807
[Cyano-(6-phenoxy-2-pyridinyl)methyl] 4-(4-chloro-2,6-difluorophenyl)-2-propan-2-ylbut-3-enoate
CID 54054842
[2,2,2-Trifluoro-1-(6-phenoxypyridin-2-yl)ethyl] 2-(4-chlorophenyl)-3-methylbutanoate
CID 54572178
2-[[6-(4-Chloro-3-fluorophenyl)-4-(3-methoxyphenyl)-2-pyridinyl]oxy]-2-methylpropanoic acid
CID 58134328
Tert-butyl 2-[[4-chloro-6-(4-chloro-3-fluorophenyl)-2-pyridinyl]oxy]-2-methylpropanoate
CID 58134329
Ethyl 2-[[2-(4-chloro-3-fluorophenyl)-6-(4-fluorophenyl)-4-pyridinyl]oxy]acetate
CID 58134355
Methyl 1-[[4-chloro-6-(4-fluorophenyl)-2-pyridinyl]oxy]cyclopropane-1-carboxylate
CID 58134377
Tert-butyl 2-[[6-(4-chloro-3-fluorophenyl)-4-(3-methoxyphenyl)-2-pyridinyl]oxy]-2-methylpropanoate
CID 58134468

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate (CID 95781076) is [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCc1nc(O[C@@H](C)c2ccccc2)ccc1Cl.
What is the InChIKey of [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate?
The InChIKey is ZDLSWCVIGOMSRT-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22ClNO5/c1-16(17-8-4-3-5-9-17)30-22-13-12-18(24)19(25-22)14-29-23(26)15-28-21-11-7-6-10-20(21)27-2/h3-13,16H,14-15H2,1-2H3/t16-/m0/s1.
What are the key properties of [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate?
[3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate has a molecular weight of 427.88 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[(1S)-1-phenylethoxy]-2-pyridinyl]methyl 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 95781076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).