methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate

C14H11ClFNO3 — CID 88964578

IUPACmethyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(F)c(Oc2ccnc(Cl)c2)c1
InChIInChI=1S/C14H11ClFNO3/c1-19-14(18)7-9-2-3-11(16)12(6-9)20-10-4-5-17-13(15)8-10/h2-6,8H,7H2,1H3
InChIKeyBURURFJZHDVJQE-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.38
Rot. Bonds4

About methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate

methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate (PubChem CID 88964578) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate
PubChem CID88964578
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Namemethyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(F)c(Oc2ccnc(Cl)c2)c1
InChIInChI=1S/C14H11ClFNO3/c1-19-14(18)7-9-2-3-11(16)12(6-9)20-10-4-5-17-13(15)8-10/h2-6,8H,7H2,1H3
InChIKeyBURURFJZHDVJQE-UHFFFAOYSA-N
XLogP3.38
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate?
The IUPAC name of methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate (CID 88964578) is methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate.
What is the SMILES notation for methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate?
The canonical SMILES for methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate is COC(=O)Cc1ccc(F)c(Oc2ccnc(Cl)c2)c1.
What is the InChIKey of methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate?
The InChIKey is BURURFJZHDVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-19-14(18)7-9-2-3-11(16)12(6-9)20-10-4-5-17-13(15)8-10/h2-6,8H,7H2,1H3.
What are the key properties of methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate?
methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate has a molecular weight of 295.70 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate is sourced from PubChem (CID 88964578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).