2-(5-acetyl-2-pyridinyl)acetic acid

C9H9NO3 — CID 122715563

IUPAC2-(5-acetyl-2-pyridinyl)acetic acid
SMILESCC(=O)c1ccc(CC(=O)O)nc1
InChIInChI=1S/C9H9NO3/c1-6(11)7-2-3-8(10-5-7)4-9(12)13/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyVGSWWIBDXZOAGS-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.91
Rot. Bonds3

About 2-(5-acetyl-2-pyridinyl)acetic acid

2-(5-acetyl-2-pyridinyl)acetic acid (PubChem CID 122715563) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(5-acetyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-acetyl-2-pyridinyl)acetic acid
PubChem CID122715563
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(5-acetyl-2-pyridinyl)acetic acid
SMILESCC(=O)c1ccc(CC(=O)O)nc1
InChIInChI=1S/C9H9NO3/c1-6(11)7-2-3-8(10-5-7)4-9(12)13/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyVGSWWIBDXZOAGS-UHFFFAOYSA-N
XLogP0.91
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone
CID 149217714
2-(5-hydroxysulfanyl-2-pyridinyl)acetic acid
CID 177191989
6-benzylpyridine-3-carboxylic acid;1-(6-benzyl-3-pyridinyl)ethanone
CID 161401140
2-(5-ethylsulfanyl-2-pyridinyl)acetic acid
CID 145231908
1-[6-(azidomethyl)-3-pyridinyl]ethanone
CID 118052846
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
1-(6-iodo-3-pyridinyl)ethanone
CID 23591882
2-[5-[(4-iodobenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338975
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
1-[6-(2-fluoroethoxy)-3-pyridinyl]ethanone
CID 58629025
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5-acetyl-2-pyridinyl)acetic acid (CID 122715563) is 2-(5-acetyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-acetyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-acetyl-2-pyridinyl)acetic acid is CC(=O)c1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-(5-acetyl-2-pyridinyl)acetic acid?
The InChIKey is VGSWWIBDXZOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-6(11)7-2-3-8(10-5-7)4-9(12)13/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 2-(5-acetyl-2-pyridinyl)acetic acid?
2-(5-acetyl-2-pyridinyl)acetic acid has a molecular weight of 179.17 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 122715563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).