6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid

C7H9NO3 — CID 68792060

IUPAC6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=CC=C1CO
InChIInChI=1S/C7H9NO3/c9-5-6-3-1-2-4-8(6)7(10)11/h1-3,9H,4-5H2,(H,10,11)
InChIKeyCBVDHHKUCLTKRD-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.41
Rot. Bonds1

About 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid

6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid (PubChem CID 68792060) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid
PubChem CID68792060
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=CC=C1CO
InChIInChI=1S/C7H9NO3/c9-5-6-3-1-2-4-8(6)7(10)11/h1-3,9H,4-5H2,(H,10,11)
InChIKeyCBVDHHKUCLTKRD-UHFFFAOYSA-N
XLogP0.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid (CID 68792060) is 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=CC=C1CO.
What is the InChIKey of 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid?
The InChIKey is CBVDHHKUCLTKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-5-6-3-1-2-4-8(6)7(10)11/h1-3,9H,4-5H2,(H,10,11).
What are the key properties of 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid?
6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 68792060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).