3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid

C14H13NO5 — CID 19960348

IUPAC3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(OCCOc2ccccc2)ccc1O
InChIInChI=1S/C14H13NO5/c16-11-6-7-12(15-13(11)14(17)18)20-9-8-19-10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,17,18)
InChIKeyAGHYRMXRCFYFIV-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.94
Rot. Bonds6

About 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid

3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid (PubChem CID 19960348) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid
PubChem CID19960348
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(OCCOc2ccccc2)ccc1O
InChIInChI=1S/C14H13NO5/c16-11-6-7-12(15-13(11)14(17)18)20-9-8-19-10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,17,18)
InChIKeyAGHYRMXRCFYFIV-UHFFFAOYSA-N
XLogP1.94
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-butoxy-3-hydroxypyridine-2-carboxylic acid
CID 19960286
2-chloro-6-(2-phenoxyethoxy)pyridine
CID 55212397
3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid
CID 61380364
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
6-(2-phenoxyethoxy)pyridine-3-sulfonamide
CID 115928056
ethane;6-phenylmethoxypyridine-2,3-dicarboxylic acid
CID 91075341
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
CID 62483754
2-phenoxyethylmercury
CID 163598363
2-nitrosoethoxybenzene
CID 23511453
2-bromo-3-fluoro-4-(2-phenoxyethoxy)benzoic acid
CID 107540662
3,4-dihydroxy-2-(3-phenoxypropyl)benzoic acid
CID 70429914

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid (CID 19960348) is 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid is O=C(O)c1nc(OCCOc2ccccc2)ccc1O.
What is the InChIKey of 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid?
The InChIKey is AGHYRMXRCFYFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-11-6-7-12(15-13(11)14(17)18)20-9-8-19-10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,17,18).
What are the key properties of 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid?
3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(2-phenoxyethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 19960348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).