6-methoxy-5-nitropyridine-3-carboxylic acid

C7H6N2O5 — CID 79001953

IUPAC6-methoxy-5-nitropyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O5/c1-14-6-5(9(12)13)2-4(3-8-6)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyUGHLUFXYOCSNRJ-UHFFFAOYSA-N
MW198.13 g/mol
LogP0.70
Rot. Bonds3

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

6-methoxy-5-nitropyridine-3-carboxylic acid (PubChem CID 79001953) has the molecular formula C7H6N2O5 and a molecular weight of 198.13 g/mol. Its IUPAC name is 6-methoxy-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-5-nitropyridine-3-carboxylic acid
PubChem CID79001953
Molecular FormulaC7H6N2O5
Molecular Weight198.13 g/mol
Exact Mass198.03
IUPAC Name6-methoxy-5-nitropyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O5/c1-14-6-5(9(12)13)2-4(3-8-6)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyUGHLUFXYOCSNRJ-UHFFFAOYSA-N
XLogP0.70
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 50.70
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-methoxy-5-nitropyridine-3-carboxylic acid (CID 79001953) is 6-methoxy-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxy-5-nitropyridine-3-carboxylic acid is COc1ncc(C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-5-nitropyridine-3-carboxylic acid?
The InChIKey is UGHLUFXYOCSNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5/c1-14-6-5(9(12)13)2-4(3-8-6)7(10)11/h2-3H,1H3,(H,10,11).
What are the key properties of 6-methoxy-5-nitropyridine-3-carboxylic acid?
6-methoxy-5-nitropyridine-3-carboxylic acid has a molecular weight of 198.13 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 79001953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).