nitric acid

HNO3 — CID 944

About nitric acid

nitric acid (PubChem CID 944) has the molecular formula HNO3 and a molecular weight of 63.01 g/mol. Its IUPAC name is nitric acid.

Molecular Properties

• Compound Name: nitric acid
• PubChem CID: 944
• Molecular Formula: HNO3
• Molecular Weight: 63.01 g/mol
• Exact Mass: 63.00
• IUPAC Name: nitric acid
• SMILES: O=[N+]([O-])O
• InChI: InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
• InChIKey: GRYLNZFGIOXLOG-UHFFFAOYSA-N
• XLogP: -0.35
• TPSA: 63.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	63.01
LogP ≤ 5	-0.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of nitric acid?

The IUPAC name of nitric acid (CID 944) is nitric acid.

What is the SMILES notation for nitric acid?

The canonical SMILES for nitric acid is O=[N+]([O-])O.

What is the InChIKey of nitric acid?

The InChIKey is GRYLNZFGIOXLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4).

What are the key properties of nitric acid?

nitric acid has a molecular weight of 63.01 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for nitric acid is sourced from PubChem (CID 944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).