2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide

C7H7N3O5 — CID 12531021

IUPAC2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1c(C(N)=O)c(O)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O5/c1-2-3(5(8)11)6(12)9-7(13)4(2)10(14)15/h1H3,(H2,8,11)(H2,9,12,13)
InChIKeyRTYSECGFKLFHNZ-UHFFFAOYSA-N
MW213.15 g/mol
LogP-0.60
Rot. Bonds2

About 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide

2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 12531021) has the molecular formula C7H7N3O5 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID12531021
Molecular FormulaC7H7N3O5
Molecular Weight213.15 g/mol
Exact Mass213.04
IUPAC Name2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1c(C(N)=O)c(O)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O5/c1-2-3(5(8)11)6(12)9-7(13)4(2)10(14)15/h1H3,(H2,8,11)(H2,9,12,13)
InChIKeyRTYSECGFKLFHNZ-UHFFFAOYSA-N
XLogP-0.60
TPSA139.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide (CID 12531021) is 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide is Cc1c(C(N)=O)c(O)[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RTYSECGFKLFHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5/c1-2-3(5(8)11)6(12)9-7(13)4(2)10(14)15/h1H3,(H2,8,11)(H2,9,12,13).
What are the key properties of 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide?
2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 213.15 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-5-nitro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 12531021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).