3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid

C10H9N3O3 — CID 142195716

IUPAC3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid
SMILESNNc1cc2cc(C(=O)O)ccc2c(=O)[nH]1
InChIInChI=1S/C10H9N3O3/c11-13-8-4-6-3-5(10(15)16)1-2-7(6)9(14)12-8/h1-4H,11H2,(H,15,16)(H2,12,13,14)
InChIKeyMDDUABPFVRWURY-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.51
Rot. Bonds2

About 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid

3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid (PubChem CID 142195716) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid
PubChem CID142195716
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid
SMILESNNc1cc2cc(C(=O)O)ccc2c(=O)[nH]1
InChIInChI=1S/C10H9N3O3/c11-13-8-4-6-3-5(10(15)16)1-2-7(6)9(14)12-8/h1-4H,11H2,(H,15,16)(H2,12,13,14)
InChIKeyMDDUABPFVRWURY-UHFFFAOYSA-N
XLogP0.51
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one
CID 142195634
1-oxo-2H-isoquinoline-6-carboxylic acid
CID 58252554
6-hydrazinyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 123692313
1,3-dihydroxy-2H-isoindole-5-carboxylic acid
CID 170693608
5-chloro-7-hydroxynaphthalene-2-carboxylic acid
CID 139998585
methyl 3-ethoxy-1-oxo-2H-isoquinoline-6-carboxylate
CID 166552592
1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid
CID 123921843
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
CID 67200510
CID 67200510
4-(1-oxo-2H-isoquinolin-3-yl)benzoic acid
CID 82667154
2-amino-1-oxoisoquinoline-6-carboxylic acid
CID 118527683

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid?
The IUPAC name of 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid (CID 142195716) is 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid.
What is the SMILES notation for 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid?
The canonical SMILES for 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid is NNc1cc2cc(C(=O)O)ccc2c(=O)[nH]1.
What is the InChIKey of 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid?
The InChIKey is MDDUABPFVRWURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-13-8-4-6-3-5(10(15)16)1-2-7(6)9(14)12-8/h1-4H,11H2,(H,15,16)(H2,12,13,14).
What are the key properties of 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid?
3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.51, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-1-oxo-2H-isoquinoline-6-carboxylic acid is sourced from PubChem (CID 142195716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).