6-hydrazinyl-5-nitropyridine-3-carboxylic acid

C6H6N4O4 — CID 82862825

IUPAC6-hydrazinyl-5-nitropyridine-3-carboxylic acid
SMILESNNc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O4/c7-9-5-4(10(13)14)1-3(2-8-5)6(11)12/h1-2H,7H2,(H,8,9)(H,11,12)
InChIKeyMUUMHICAZNBFHV-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.03
Rot. Bonds3

About 6-hydrazinyl-5-nitropyridine-3-carboxylic acid

6-hydrazinyl-5-nitropyridine-3-carboxylic acid (PubChem CID 82862825) has the molecular formula C6H6N4O4 and a molecular weight of 198.14 g/mol. Its IUPAC name is 6-hydrazinyl-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-hydrazinyl-5-nitropyridine-3-carboxylic acid
PubChem CID82862825
Molecular FormulaC6H6N4O4
Molecular Weight198.14 g/mol
Exact Mass198.04
IUPAC Name6-hydrazinyl-5-nitropyridine-3-carboxylic acid
SMILESNNc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N4O4/c7-9-5-4(10(13)14)1-3(2-8-5)6(11)12/h1-2H,7H2,(H,8,9)(H,11,12)
InChIKeyMUUMHICAZNBFHV-UHFFFAOYSA-N
XLogP-0.03
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
CID 81441566
6-[(5-amino-5-oxopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106237764
5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-3-carboxylic acid
CID 81446793
6-(2,6-dichloroanilino)-5-nitropyridine-3-carboxylic acid
CID 81448213
6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81437711
6-(2-bromoanilino)-5-nitropyridine-3-carboxylic acid
CID 81437692
6-(cyclohexylmethylamino)-5-nitropyridine-3-carboxylic acid
CID 81438306
6-[(2-ethoxy-2-methylpropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114942695
6-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442231
6-(3-bromo-5-methylanilino)-5-nitropyridine-3-carboxylic acid
CID 107584155

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-hydrazinyl-5-nitropyridine-3-carboxylic acid (CID 82862825) is 6-hydrazinyl-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-hydrazinyl-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-hydrazinyl-5-nitropyridine-3-carboxylic acid is NNc1ncc(C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-5-nitropyridine-3-carboxylic acid?
The InChIKey is MUUMHICAZNBFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O4/c7-9-5-4(10(13)14)1-3(2-8-5)6(11)12/h1-2H,7H2,(H,8,9)(H,11,12).
What are the key properties of 6-hydrazinyl-5-nitropyridine-3-carboxylic acid?
6-hydrazinyl-5-nitropyridine-3-carboxylic acid has a molecular weight of 198.14 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 82862825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).