2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid

C9H10ClNO4 — CID 22766129

IUPAC2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid
SMILESCCOc1cc(=O)c(Cl)cn1CC(=O)O
InChIInChI=1S/C9H10ClNO4/c1-2-15-8-3-7(12)6(10)4-11(8)5-9(13)14/h3-4H,2,5H2,1H3,(H,13,14)
InChIKeyXLCBNPLQAGBUFR-UHFFFAOYSA-N
MW231.63 g/mol
LogP0.99
Rot. Bonds4

About 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid

2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid (PubChem CID 22766129) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid
PubChem CID22766129
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid
SMILESCCOc1cc(=O)c(Cl)cn1CC(=O)O
InChIInChI=1S/C9H10ClNO4/c1-2-15-8-3-7(12)6(10)4-11(8)5-9(13)14/h3-4H,2,5H2,1H3,(H,13,14)
InChIKeyXLCBNPLQAGBUFR-UHFFFAOYSA-N
XLogP0.99
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid (CID 22766129) is 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid is CCOc1cc(=O)c(Cl)cn1CC(=O)O.
What is the InChIKey of 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid?
The InChIKey is XLCBNPLQAGBUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c1-2-15-8-3-7(12)6(10)4-11(8)5-9(13)14/h3-4H,2,5H2,1H3,(H,13,14).
What are the key properties of 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid?
2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid has a molecular weight of 231.63 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxy-4-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 22766129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).