ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate

C10H10Cl2FNO2 — CID 34174405

IUPACethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate
SMILESCCOC(=O)CCc1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C10H10Cl2FNO2/c1-2-16-8(15)4-3-6-5-7(13)10(12)14-9(6)11/h5H,2-4H2,1H3
InChIKeyHPOSEDFTMSDHFQ-UHFFFAOYSA-N
MW266.10 g/mol
LogP3.02
Rot. Bonds4

About ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate

ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate (PubChem CID 34174405) has the molecular formula C10H10Cl2FNO2 and a molecular weight of 266.10 g/mol. Its IUPAC name is ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate
PubChem CID34174405
Molecular FormulaC10H10Cl2FNO2
Molecular Weight266.10 g/mol
Exact Mass265.01
IUPAC Nameethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate
SMILESCCOC(=O)CCc1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C10H10Cl2FNO2/c1-2-16-8(15)4-3-6-5-7(13)10(12)14-9(6)11/h5H,2-4H2,1H3
InChIKeyHPOSEDFTMSDHFQ-UHFFFAOYSA-N
XLogP3.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate?
The IUPAC name of ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate (CID 34174405) is ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate is CCOC(=O)CCc1cc(F)c(Cl)nc1Cl.
What is the InChIKey of ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate?
The InChIKey is HPOSEDFTMSDHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO2/c1-2-16-8(15)4-3-6-5-7(13)10(12)14-9(6)11/h5H,2-4H2,1H3.
What are the key properties of ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate?
ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate has a molecular weight of 266.10 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)propanoate is sourced from PubChem (CID 34174405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).