4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide

C13H14N4O4 — CID 16367

IUPAC4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide
SMILESNNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3.C6H7N3O/c8-4-1-2-5(7(10)11)6(9)3-4;7-9-6(10)5-1-3-8-4-2-5/h1-3,9H,8H2,(H,10,11);1-4H,7H2,(H,9,10)
InChIKeyRKPHTRVPGYGVQD-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.36
Rot. Bonds2

About 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide

4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide (PubChem CID 16367) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide.

Molecular Properties

Compound Name4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide
PubChem CID16367
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide
SMILESNNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3.C6H7N3O/c8-4-1-2-5(7(10)11)6(9)3-4;7-9-6(10)5-1-3-8-4-2-5/h1-3,9H,8H2,(H,10,11);1-4H,7H2,(H,9,10)
InChIKeyRKPHTRVPGYGVQD-UHFFFAOYSA-N
XLogP0.36
TPSA151.56 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide?
The IUPAC name of 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide (CID 16367) is 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide.
What is the SMILES notation for 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide?
The canonical SMILES for 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide is NNC(=O)c1ccncc1.Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide?
The InChIKey is RKPHTRVPGYGVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.C6H7N3O/c8-4-1-2-5(7(10)11)6(9)3-4;7-9-6(10)5-1-3-8-4-2-5/h1-3,9H,8H2,(H,10,11);1-4H,7H2,(H,9,10).
What are the key properties of 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide?
4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide has a molecular weight of 290.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxybenzoic acid;pyridine-4-carbohydrazide is sourced from PubChem (CID 16367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).