2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid

C8H8ClNO3 — CID 21320050

IUPAC2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid
SMILESCc1cn(CC(=O)O)cc(Cl)c1=O
InChIInChI=1S/C8H8ClNO3/c1-5-2-10(4-7(11)12)3-6(9)8(5)13/h2-3H,4H2,1H3,(H,11,12)
InChIKeyFIPORVUYIIWAHF-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.89
Rot. Bonds2

About 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid

2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid (PubChem CID 21320050) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid
PubChem CID21320050
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid
SMILESCc1cn(CC(=O)O)cc(Cl)c1=O
InChIInChI=1S/C8H8ClNO3/c1-5-2-10(4-7(11)12)3-6(9)8(5)13/h2-3H,4H2,1H3,(H,11,12)
InChIKeyFIPORVUYIIWAHF-UHFFFAOYSA-N
XLogP0.89
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid (CID 21320050) is 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid is Cc1cn(CC(=O)O)cc(Cl)c1=O.
What is the InChIKey of 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid?
The InChIKey is FIPORVUYIIWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-5-2-10(4-7(11)12)3-6(9)8(5)13/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid?
2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid has a molecular weight of 201.61 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methyl-4-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 21320050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).