ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate

C15H12ClFN4O4 — CID 155401212

IUPACethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1Oc1nc(N=[N+]=[N-])c(F)cc1Cl
InChIInChI=1S/C15H12ClFN4O4/c1-2-23-13(22)8-24-11-5-3-4-6-12(11)25-15-9(16)7-10(17)14(19-15)20-21-18/h3-7H,2,8H2,1H3
InChIKeyRXBBJJAVARYUOT-UHFFFAOYSA-N
MW366.74 g/mol
LogP4.55
Rot. Bonds7

About ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate

ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate (PubChem CID 155401212) has the molecular formula C15H12ClFN4O4 and a molecular weight of 366.74 g/mol. Its IUPAC name is ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate
PubChem CID155401212
Molecular FormulaC15H12ClFN4O4
Molecular Weight366.74 g/mol
Exact Mass366.05
IUPAC Nameethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1Oc1nc(N=[N+]=[N-])c(F)cc1Cl
InChIInChI=1S/C15H12ClFN4O4/c1-2-23-13(22)8-24-11-5-3-4-6-12(11)25-15-9(16)7-10(17)14(19-15)20-21-18/h3-7H,2,8H2,1H3
InChIKeyRXBBJJAVARYUOT-UHFFFAOYSA-N
XLogP4.55
TPSA106.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.74
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[3-chloro-6-[[(E)-3-[[5-chloro-6-[2-(2-ethynoxy-2-oxoethoxy)phenoxy]-3-fluoro-2-pyridinyl]amino]-4,4,4-trifluorobut-2-enoyl]amino]-5-fluoro-2-pyridinyl]oxy]phenoxy]acetate
CID 155649636
4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium
CID 139822544
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
butyl 2-(2-ethoxyphenoxy)acetate
CID 54941442
propyl 2-(2-ethoxyphenoxy)acetate
CID 112724725
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
ethyl 2-[2-chloro-4-fluoro-5-(4-oxo-1,2,3-benzotriazin-3-yl)phenoxy]acetate
CID 139226417
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
ethyl 2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetate
CID 3085207
ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate
CID 134521692
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate (CID 155401212) is ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate is CCOC(=O)COc1ccccc1Oc1nc(N=[N+]=[N-])c(F)cc1Cl.
What is the InChIKey of ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate?
The InChIKey is RXBBJJAVARYUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O4/c1-2-23-13(22)8-24-11-5-3-4-6-12(11)25-15-9(16)7-10(17)14(19-15)20-21-18/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate?
ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate has a molecular weight of 366.74 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(6-azido-3-chloro-5-fluoro-2-pyridinyl)oxy]phenoxy]acetate is sourced from PubChem (CID 155401212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).