6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride

C7H8ClNO3 — CID 146675255

IUPAC6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(CO)n1
InChIInChI=1S/C7H7NO3.ClH/c9-4-5-2-1-3-6(8-5)7(10)11;/h1-3,9H,4H2,(H,10,11);1H
InChIKeyXEOWZRYEJVSKQK-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.69
Rot. Bonds2

About 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride

6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride (PubChem CID 146675255) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
PubChem CID146675255
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(CO)n1
InChIInChI=1S/C7H7NO3.ClH/c9-4-5-2-1-3-6(8-5)7(10)11;/h1-3,9H,4H2,(H,10,11);1H
InChIKeyXEOWZRYEJVSKQK-UHFFFAOYSA-N
XLogP0.69
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride (CID 146675255) is 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc(CO)n1.
What is the InChIKey of 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is XEOWZRYEJVSKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.ClH/c9-4-5-2-1-3-6(8-5)7(10)11;/h1-3,9H,4H2,(H,10,11);1H.
What are the key properties of 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride?
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 189.60 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 146675255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).