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

C14H13NO4 — CID 106903344

IUPAC6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2cccc(CO)c2)n1
InChIInChI=1S/C14H13NO4/c16-8-10-3-1-5-12(7-10)19-9-11-4-2-6-13(15-11)14(17)18/h1-7,16H,8-9H2,(H,17,18)
InChIKeyQJULRFGATUQGIY-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.85
Rot. Bonds5

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

6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid (PubChem CID 106903344) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
PubChem CID106903344
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2cccc(CO)c2)n1
InChIInChI=1S/C14H13NO4/c16-8-10-3-1-5-12(7-10)19-9-11-4-2-6-13(15-11)14(17)18/h1-7,16H,8-9H2,(H,17,18)
InChIKeyQJULRFGATUQGIY-UHFFFAOYSA-N
XLogP1.85
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255
[3-[[6-(propylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79238949
2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
CID 115460733
[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28782947
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
4-[[3-(hydroxymethyl)phenoxy]methyl]-3-methylbenzoic acid
CID 114485771
5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid
CID 55183087
6-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 11501161

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid (CID 106903344) is 6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(COc2cccc(CO)c2)n1.
What is the InChIKey of 6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The InChIKey is QJULRFGATUQGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-8-10-3-1-5-12(7-10)19-9-11-4-2-6-13(15-11)14(17)18/h1-7,16H,8-9H2,(H,17,18).
What are the key properties of 6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).