ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate

C9H10ClNO3 — CID 147145011

IUPACethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate
SMILESCCOC(=O)CC1=NC(Cl)=CC(=O)C1
InChIInChI=1S/C9H10ClNO3/c1-2-14-9(13)4-6-3-7(12)5-8(10)11-6/h5H,2-4H2,1H3
InChIKeyBSWFKQIOYNYRDN-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.43
Rot. Bonds3

About ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate

ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate (PubChem CID 147145011) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate
PubChem CID147145011
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Nameethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate
SMILESCCOC(=O)CC1=NC(Cl)=CC(=O)C1
InChIInChI=1S/C9H10ClNO3/c1-2-14-9(13)4-6-3-7(12)5-8(10)11-6/h5H,2-4H2,1H3
InChIKeyBSWFKQIOYNYRDN-UHFFFAOYSA-N
XLogP1.43
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate?
The IUPAC name of ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate (CID 147145011) is ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate is CCOC(=O)CC1=NC(Cl)=CC(=O)C1.
What is the InChIKey of ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate?
The InChIKey is BSWFKQIOYNYRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-2-14-9(13)4-6-3-7(12)5-8(10)11-6/h5H,2-4H2,1H3.
What are the key properties of ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate?
ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate has a molecular weight of 215.64 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-4-oxo-3H-pyridin-2-yl)acetate is sourced from PubChem (CID 147145011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).