5-nitro-2-oxo-1H-pyridine-3-carbohydrazide

C6H6N4O4 — CID 43244604

IUPAC5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C6H6N4O4/c7-9-6(12)4-1-3(10(13)14)2-8-5(4)11/h1-2H,7H2,(H,8,11)(H,9,12)
InChIKeyPRGXOOIELWEGGN-UHFFFAOYSA-N
MW198.14 g/mol
LogP-1.11
Rot. Bonds2

About 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide

5-nitro-2-oxo-1H-pyridine-3-carbohydrazide (PubChem CID 43244604) has the molecular formula C6H6N4O4 and a molecular weight of 198.14 g/mol. Its IUPAC name is 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
PubChem CID43244604
Molecular FormulaC6H6N4O4
Molecular Weight198.14 g/mol
Exact Mass198.04
IUPAC Name5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C6H6N4O4/c7-9-6(12)4-1-3(10(13)14)2-8-5(4)11/h1-2H,7H2,(H,8,11)(H,9,12)
InChIKeyPRGXOOIELWEGGN-UHFFFAOYSA-N
XLogP-1.11
TPSA131.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 60715827
(2S)-4-amino-2-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]-4-oxobutanoic acid
CID 63715717
3-methyl-3-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 64671123
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115362145
N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 106364548
N-[(2-hydroxycyclohexyl)methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 64929275
N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115609335
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 103841090
5-nitro-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyridine-3-carboxamide
CID 64547433
2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid
CID 83814946
ethyl (Z)-3-hydroxy-3-(5-nitro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 71081983
methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 43409764

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide?
The IUPAC name of 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide (CID 43244604) is 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide?
The canonical SMILES for 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide is NNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide?
The InChIKey is PRGXOOIELWEGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O4/c7-9-6(12)4-1-3(10(13)14)2-8-5(4)11/h1-2H,7H2,(H,8,11)(H,9,12).
What are the key properties of 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide?
5-nitro-2-oxo-1H-pyridine-3-carbohydrazide has a molecular weight of 198.14 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-oxo-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 43244604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).