3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid

C13H10N2O5 — CID 141300017

IUPAC3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid
SMILESNc1c(O)ccc(C(=O)O)c1OC(=O)c1ccccn1
InChIInChI=1S/C13H10N2O5/c14-10-9(16)5-4-7(12(17)18)11(10)20-13(19)8-3-1-2-6-15-8/h1-6,16H,14H2,(H,17,18)
InChIKeyCYHPBFVNWXYNBU-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.29
Rot. Bonds3

About 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid

3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid (PubChem CID 141300017) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid.

Molecular Properties

Compound Name3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid
PubChem CID141300017
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid
SMILESNc1c(O)ccc(C(=O)O)c1OC(=O)c1ccccn1
InChIInChI=1S/C13H10N2O5/c14-10-9(16)5-4-7(12(17)18)11(10)20-13(19)8-3-1-2-6-15-8/h1-6,16H,14H2,(H,17,18)
InChIKeyCYHPBFVNWXYNBU-UHFFFAOYSA-N
XLogP1.29
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118841909
gadolinium;pyridine-2-carboxylic acid
CID 175231422
pyridine-2-carboxylic acid;tungsten
CID 88770661
CID 173156131
CID 173156131
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227
8-hydroxyquinoline-5-carboxylic acid;hydrobromide
CID 122236270
4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid
CID 67044172
ethyl pyridine-2-carboxylate
CID 17307
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid?
The IUPAC name of 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid (CID 141300017) is 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid.
What is the SMILES notation for 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid?
The canonical SMILES for 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid is Nc1c(O)ccc(C(=O)O)c1OC(=O)c1ccccn1.
What is the InChIKey of 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid?
The InChIKey is CYHPBFVNWXYNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c14-10-9(16)5-4-7(12(17)18)11(10)20-13(19)8-3-1-2-6-15-8/h1-6,16H,14H2,(H,17,18).
What are the key properties of 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid?
3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid has a molecular weight of 274.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid is sourced from PubChem (CID 141300017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).