6-aminopyridine-2-carboxylic acid;nitrous acid

C6H7N3O4 — CID 175025795

IUPAC6-aminopyridine-2-carboxylic acid;nitrous acid
SMILESNc1cccc(C(=O)O)n1.O=NO
InChIInChI=1S/C6H6N2O2.HNO2/c7-5-3-1-2-4(8-5)6(9)10;2-1-3/h1-3H,(H2,7,8)(H,9,10);(H,2,3)
InChIKeyBMZGOAPMTXWXKY-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.50
Rot. Bonds1

About 6-aminopyridine-2-carboxylic acid;nitrous acid

6-aminopyridine-2-carboxylic acid;nitrous acid (PubChem CID 175025795) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 6-aminopyridine-2-carboxylic acid;nitrous acid.

Molecular Properties

Compound Name6-aminopyridine-2-carboxylic acid;nitrous acid
PubChem CID175025795
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name6-aminopyridine-2-carboxylic acid;nitrous acid
SMILESNc1cccc(C(=O)O)n1.O=NO
InChIInChI=1S/C6H6N2O2.HNO2/c7-5-3-1-2-4(8-5)6(9)10;2-1-3/h1-3H,(H2,7,8)(H,9,10);(H,2,3)
InChIKeyBMZGOAPMTXWXKY-UHFFFAOYSA-N
XLogP0.50
TPSA125.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-2-carboxylic acid;nitrous acid?
The IUPAC name of 6-aminopyridine-2-carboxylic acid;nitrous acid (CID 175025795) is 6-aminopyridine-2-carboxylic acid;nitrous acid.
What is the SMILES notation for 6-aminopyridine-2-carboxylic acid;nitrous acid?
The canonical SMILES for 6-aminopyridine-2-carboxylic acid;nitrous acid is Nc1cccc(C(=O)O)n1.O=NO.
What is the InChIKey of 6-aminopyridine-2-carboxylic acid;nitrous acid?
The InChIKey is BMZGOAPMTXWXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.HNO2/c7-5-3-1-2-4(8-5)6(9)10;2-1-3/h1-3H,(H2,7,8)(H,9,10);(H,2,3).
What are the key properties of 6-aminopyridine-2-carboxylic acid;nitrous acid?
6-aminopyridine-2-carboxylic acid;nitrous acid has a molecular weight of 185.14 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyridine-2-carboxylic acid;nitrous acid is sourced from PubChem (CID 175025795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).