methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

C15H13Cl2NO4 — CID 2427450

IUPACmethyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCOC(=O)[C@H](C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO4/c1-9(15(19)20-2)21-10-3-5-11(6-4-10)22-14-12(16)7-8-13(17)18-14/h3-9H,1-2H3/t9-/m0/s1
InChIKeyRHPBNWCDJSOARE-VIFPVBQESA-N
MW342.18 g/mol
LogP4.12
Rot. Bonds5

About methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate

methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (PubChem CID 2427450) has the molecular formula C15H13Cl2NO4 and a molecular weight of 342.18 g/mol. Its IUPAC name is methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
PubChem CID2427450
Molecular FormulaC15H13Cl2NO4
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Namemethyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
SMILESCOC(=O)[C@H](C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO4/c1-9(15(19)20-2)21-10-3-5-11(6-4-10)22-14-12(16)7-8-13(17)18-14/h3-9H,1-2H3/t9-/m0/s1
InChIKeyRHPBNWCDJSOARE-VIFPVBQESA-N
XLogP4.12
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 7716442
methyl 2-[4-[[3,4,6-trichloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 141326573
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
methyl (2R)-2-[3-(1-bromoethyl)-4-chlorophenoxy]propanoate
CID 174470563
methyl 2-[4-(4-chloroanilino)phenoxy]propanoate
CID 13083957
methyl 2-[4-[(7-chloro-4-oxido-1,2,4-benzotriazin-4-ium-3-yl)oxy]phenoxy]propanoate
CID 70540251
methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate
CID 11142795
methyl 2-[4-(4-chloro-2-cyanophenoxy)phenoxy]propanoate
CID 12893344
methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
CID 10830920
methyl 2-[4-(4-nitrophenoxy)phenoxy]propanoate
CID 71372462
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The IUPAC name of methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate (CID 2427450) is methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate.
What is the SMILES notation for methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The canonical SMILES for methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is COC(=O)[C@H](C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
The InChIKey is RHPBNWCDJSOARE-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13Cl2NO4/c1-9(15(19)20-2)21-10-3-5-11(6-4-10)22-14-12(16)7-8-13(17)18-14/h3-9H,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate?
methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate has a molecular weight of 342.18 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate is sourced from PubChem (CID 2427450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).