hydrazinyl pyridine-3-carboxylate

C6H7N3O2 — CID 22603598

IUPAChydrazinyl pyridine-3-carboxylate
SMILESNNOC(=O)c1cccnc1
InChIInChI=1S/C6H7N3O2/c7-9-11-6(10)5-2-1-3-8-4-5/h1-4,9H,7H2
InChIKeyOCYPIYITFZYSOT-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.38
Rot. Bonds2

About hydrazinyl pyridine-3-carboxylate

hydrazinyl pyridine-3-carboxylate (PubChem CID 22603598) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is hydrazinyl pyridine-3-carboxylate.

Molecular Properties

Compound Namehydrazinyl pyridine-3-carboxylate
PubChem CID22603598
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Namehydrazinyl pyridine-3-carboxylate
SMILESNNOC(=O)c1cccnc1
InChIInChI=1S/C6H7N3O2/c7-9-11-6(10)5-2-1-3-8-4-5/h1-4,9H,7H2
InChIKeyOCYPIYITFZYSOT-UHFFFAOYSA-N
XLogP-0.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(propan-2-ylamino) pyridine-3-carboxylate
CID 144881639
(111C)methyl pyridine-3-carboxylate
CID 11309537
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
CID 22254315
CID 22254315
hydroxycarbamoyl pyridine-3-carboxylate
CID 91185669
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
pyridine-3-carbonyl pyrimidine-5-carboxylate
CID 144515193
(oxetan-2-ylmethylamino) pyridine-3-carboxylate
CID 166709002
CID 131854915
CID 131854915
2-oxoethyl pyridine-3-carboxylate
CID 54542225
2-oxopropyl pyridine-3-carboxylate
CID 69192363

Frequently Asked Questions

What is the IUPAC name of hydrazinyl pyridine-3-carboxylate?
The IUPAC name of hydrazinyl pyridine-3-carboxylate (CID 22603598) is hydrazinyl pyridine-3-carboxylate.
What is the SMILES notation for hydrazinyl pyridine-3-carboxylate?
The canonical SMILES for hydrazinyl pyridine-3-carboxylate is NNOC(=O)c1cccnc1.
What is the InChIKey of hydrazinyl pyridine-3-carboxylate?
The InChIKey is OCYPIYITFZYSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c7-9-11-6(10)5-2-1-3-8-4-5/h1-4,9H,7H2.
What are the key properties of hydrazinyl pyridine-3-carboxylate?
hydrazinyl pyridine-3-carboxylate has a molecular weight of 153.14 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl pyridine-3-carboxylate is sourced from PubChem (CID 22603598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).