3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid

C14H13NO4 — CID 63073121

IUPAC3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1COc1ccc(CO)cc1
InChIInChI=1S/C14H13NO4/c16-8-10-3-5-12(6-4-10)19-9-11-2-1-7-15-13(11)14(17)18/h1-7,16H,8-9H2,(H,17,18)
InChIKeyPDKZUUNYZXSXOM-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.85
Rot. Bonds5

About 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid

3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid (PubChem CID 63073121) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
PubChem CID63073121
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1COc1ccc(CO)cc1
InChIInChI=1S/C14H13NO4/c16-8-10-3-5-12(6-4-10)19-9-11-2-1-7-15-13(11)14(17)18/h1-7,16H,8-9H2,(H,17,18)
InChIKeyPDKZUUNYZXSXOM-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

3-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63075184
3-[(3-tert-butylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074328
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 81325707
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875
3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid
CID 63073065
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 82975676
3-(4-methylpentan-2-yloxymethyl)pyridine-2-carboxylic acid
CID 55181278
[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol
CID 110889549
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid (CID 63073121) is 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid is O=C(O)c1ncccc1COc1ccc(CO)cc1.
What is the InChIKey of 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The InChIKey is PDKZUUNYZXSXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-8-10-3-5-12(6-4-10)19-9-11-2-1-7-15-13(11)14(17)18/h1-7,16H,8-9H2,(H,17,18).
What are the key properties of 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
3-[[4-(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 3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63073121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).