2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid

C14H12N2O4 — CID 135567040

IUPAC2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(O)c(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20)
InChIKeyKWHVUGFDWSYWJF-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.11
Rot. Bonds3

About 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid

2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid (PubChem CID 135567040) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid
PubChem CID135567040
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid
SMILESCC(=O)Nc1ccc(O)c(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20)
InChIKeyKWHVUGFDWSYWJF-UHFFFAOYSA-N
XLogP2.11
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-{3-[4-(5-Hydroxypyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11617480
3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
CID 935607
2-hydroxy-N-((pyridin-2-yl)methyl)benzamide
CID 778091
2-[5-(2-Methoxyethanoylamino)-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567037
2-[5-[(5-Methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
CID 135567038
2-[5-[(4-Hydroxyphenyl)carbonylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567041
2-[5-[2-(3-Methoxyphenyl)ethanoylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567042
3-[(Pyridin-4-ylmethyl)-amino]-benzoic acid
CID 935190
2-hydroxy-N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)benzamide
CID 10455135
1-(2-Hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 241787
2-hydroxy-N-(pyridin-3-yl)benzamide
CID 578240
Casein kinase 1|A-IN-10
CID 5442100

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid (CID 135567040) is 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid is CC(=O)Nc1ccc(O)c(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid?
The InChIKey is KWHVUGFDWSYWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20).
What are the key properties of 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid?
2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-hydroxyphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 135567040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).