tris(nitric acid);pyridine-3-carboxylic acid

C6H8N4O11 — CID 71410042

IUPACtris(nitric acid);pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C6H5NO2.3HNO3/c8-6(9)5-2-1-3-7-4-5;3*2-1(3)4/h1-4H,(H,8,9);3*(H,2,3,4)
InChIKeyPTZHJIXHXPHJFD-UHFFFAOYSA-N
MW312.15 g/mol
LogP-0.26
Rot. Bonds1

About tris(nitric acid);pyridine-3-carboxylic acid

tris(nitric acid);pyridine-3-carboxylic acid (PubChem CID 71410042) has the molecular formula C6H8N4O11 and a molecular weight of 312.15 g/mol. Its IUPAC name is tris(nitric acid);pyridine-3-carboxylic acid.

Molecular Properties

Compound Nametris(nitric acid);pyridine-3-carboxylic acid
PubChem CID71410042
Molecular FormulaC6H8N4O11
Molecular Weight312.15 g/mol
Exact Mass312.02
IUPAC Nametris(nitric acid);pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C6H5NO2.3HNO3/c8-6(9)5-2-1-3-7-4-5;3*2-1(3)4/h1-4H,(H,8,9);3*(H,2,3,4)
InChIKeyPTZHJIXHXPHJFD-UHFFFAOYSA-N
XLogP-0.26
TPSA240.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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Related Compounds

CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
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CID 139075999
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
iodoethane;pyridine-3-carboxylic acid
CID 158495952
2-hydroxybenzaldehyde;pyridine-3-carboxylic acid
CID 158573582
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
propane-1,2-diol;pyridine-3-carboxylic acid
CID 159503029
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
hexane-1,2,3,4,5,6-hexol;pyridine-3-carboxylic acid
CID 174699065

Frequently Asked Questions

What is the IUPAC name of tris(nitric acid);pyridine-3-carboxylic acid?
The IUPAC name of tris(nitric acid);pyridine-3-carboxylic acid (CID 71410042) is tris(nitric acid);pyridine-3-carboxylic acid.
What is the SMILES notation for tris(nitric acid);pyridine-3-carboxylic acid?
The canonical SMILES for tris(nitric acid);pyridine-3-carboxylic acid is O=C(O)c1cccnc1.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of tris(nitric acid);pyridine-3-carboxylic acid?
The InChIKey is PTZHJIXHXPHJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.3HNO3/c8-6(9)5-2-1-3-7-4-5;3*2-1(3)4/h1-4H,(H,8,9);3*(H,2,3,4).
What are the key properties of tris(nitric acid);pyridine-3-carboxylic acid?
tris(nitric acid);pyridine-3-carboxylic acid has a molecular weight of 312.15 g/mol, XLogP of -0.26, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(nitric acid);pyridine-3-carboxylic acid is sourced from PubChem (CID 71410042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).