2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid

C9H11NO4 — CID 20544436

IUPAC2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid
SMILESCc1cc(=O)c(OCC(=O)O)cn1C
InChIInChI=1S/C9H11NO4/c1-6-3-7(11)8(4-10(6)2)14-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyFCZMQGDHKBXRTR-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.16
Rot. Bonds3

About 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid

2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid (PubChem CID 20544436) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid
PubChem CID20544436
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid
SMILESCc1cc(=O)c(OCC(=O)O)cn1C
InChIInChI=1S/C9H11NO4/c1-6-3-7(11)8(4-10(6)2)14-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyFCZMQGDHKBXRTR-UHFFFAOYSA-N
XLogP0.16
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid (CID 20544436) is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid is Cc1cc(=O)c(OCC(=O)O)cn1C.
What is the InChIKey of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid?
The InChIKey is FCZMQGDHKBXRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-3-7(11)8(4-10(6)2)14-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid?
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid has a molecular weight of 197.19 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 20544436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).