6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid

C13H11NO4 — CID 55245031

IUPAC6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccccc2CO)nc1
InChIInChI=1S/C13H11NO4/c15-8-10-3-1-2-4-11(10)18-12-6-5-9(7-14-12)13(16)17/h1-7,15H,8H2,(H,16,17)
InChIKeyCSQKGIKBILPNNT-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.06
Rot. Bonds4

About 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid

6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid (PubChem CID 55245031) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid
PubChem CID55245031
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccccc2CO)nc1
InChIInChI=1S/C13H11NO4/c15-8-10-3-1-2-4-11(10)18-12-6-5-9(7-14-12)13(16)17/h1-7,15H,8H2,(H,16,17)
InChIKeyCSQKGIKBILPNNT-UHFFFAOYSA-N
XLogP2.06
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-phenylphenoxy)pyridine-3-carboxylic acid
CID 43825428
6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 125498323
[2-[[5-(methylaminomethyl)-2-pyridinyl]oxy]phenyl]methanol
CID 80633758
3-bromo-4-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 82801751
2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63653260
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
CID 63681353
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
[2-[(5-amino-4-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 79175989
6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde
CID 107712774
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
[2-(6-methylpyridazin-3-yl)oxyphenyl]methanol
CID 107713519
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid (CID 55245031) is 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid is O=C(O)c1ccc(Oc2ccccc2CO)nc1.
What is the InChIKey of 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is CSQKGIKBILPNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-8-10-3-1-2-4-11(10)18-12-6-5-9(7-14-12)13(16)17/h1-7,15H,8H2,(H,16,17).
What are the key properties of 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid?
6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 55245031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).