6-methyl-5-nitropyridine-2-carboxylic acid

C7H6N2O4 — CID 7472037

IUPAC6-methyl-5-nitropyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O4/c1-4-6(9(12)13)3-2-5(8-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyMLRMGVGPJDXMLC-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.00
Rot. Bonds2

About 6-methyl-5-nitropyridine-2-carboxylic acid

6-methyl-5-nitropyridine-2-carboxylic acid (PubChem CID 7472037) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is 6-methyl-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-nitropyridine-2-carboxylic acid
PubChem CID7472037
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name6-methyl-5-nitropyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O4/c1-4-6(9(12)13)3-2-5(8-4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyMLRMGVGPJDXMLC-UHFFFAOYSA-N
XLogP1.00
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-5-nitropyridine-2-carboxylic acid (CID 7472037) is 6-methyl-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-5-nitropyridine-2-carboxylic acid is Cc1nc(C(=O)O)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitropyridine-2-carboxylic acid?
The InChIKey is MLRMGVGPJDXMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c1-4-6(9(12)13)3-2-5(8-4)7(10)11/h2-3H,1H3,(H,10,11).
What are the key properties of 6-methyl-5-nitropyridine-2-carboxylic acid?
6-methyl-5-nitropyridine-2-carboxylic acid has a molecular weight of 182.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 7472037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).