2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid

C9H11NO5 — CID 56723801

IUPAC2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid
SMILESCOc1cn(CC(=O)O)c(CO)cc1=O
InChIInChI=1S/C9H11NO5/c1-15-8-3-10(4-9(13)14)6(5-11)2-7(8)12/h2-3,11H,4-5H2,1H3,(H,13,14)
InChIKeyPVDFJQYSHKJAMV-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.57
Rot. Bonds4

About 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid

2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid (PubChem CID 56723801) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid
PubChem CID56723801
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid
SMILESCOc1cn(CC(=O)O)c(CO)cc1=O
InChIInChI=1S/C9H11NO5/c1-15-8-3-10(4-9(13)14)6(5-11)2-7(8)12/h2-3,11H,4-5H2,1H3,(H,13,14)
InChIKeyPVDFJQYSHKJAMV-UHFFFAOYSA-N
XLogP-0.57
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid (CID 56723801) is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid is COc1cn(CC(=O)O)c(CO)cc1=O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid?
The InChIKey is PVDFJQYSHKJAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-15-8-3-10(4-9(13)14)6(5-11)2-7(8)12/h2-3,11H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid?
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 56723801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).