ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate

C15H14ClNO3 — CID 171634888

IUPACethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate
SMILESCCOC(=O)c1cc(Oc2ccnc(Cl)c2)ccc1C
InChIInChI=1S/C15H14ClNO3/c1-3-19-15(18)13-8-11(5-4-10(13)2)20-12-6-7-17-14(16)9-12/h4-9H,3H2,1-2H3
InChIKeyDLVPVTSWCCADFZ-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.01
Rot. Bonds4

About ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate

ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate (PubChem CID 171634888) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate
PubChem CID171634888
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Nameethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate
SMILESCCOC(=O)c1cc(Oc2ccnc(Cl)c2)ccc1C
InChIInChI=1S/C15H14ClNO3/c1-3-19-15(18)13-8-11(5-4-10(13)2)20-12-6-7-17-14(16)9-12/h4-9H,3H2,1-2H3
InChIKeyDLVPVTSWCCADFZ-UHFFFAOYSA-N
XLogP4.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.01
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 ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate?
The IUPAC name of ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate (CID 171634888) is ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate.
What is the SMILES notation for ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate?
The canonical SMILES for ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate is CCOC(=O)c1cc(Oc2ccnc(Cl)c2)ccc1C.
What is the InChIKey of ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate?
The InChIKey is DLVPVTSWCCADFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-3-19-15(18)13-8-11(5-4-10(13)2)20-12-6-7-17-14(16)9-12/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate?
ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate has a molecular weight of 291.73 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate is sourced from PubChem (CID 171634888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).