6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid

C8H9NO4 — CID 146294484

IUPAC6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid
SMILESCOC(O)c1cccc(C(=O)O)n1
InChIInChI=1S/C8H9NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4,8,12H,1H3,(H,10,11)
InChIKeyRPJHCQPRBWHZAP-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.42
Rot. Bonds3

About 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid

6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 146294484) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid
PubChem CID146294484
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid
SMILESCOC(O)c1cccc(C(=O)O)n1
InChIInChI=1S/C8H9NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4,8,12H,1H3,(H,10,11)
InChIKeyRPJHCQPRBWHZAP-UHFFFAOYSA-N
XLogP0.42
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid (CID 146294484) is 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid is COC(O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is RPJHCQPRBWHZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-13-8(12)6-4-2-3-5(9-6)7(10)11/h2-4,8,12H,1H3,(H,10,11).
What are the key properties of 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid?
6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 146294484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).