2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid

C7H6F3N3O4 — CID 174707233

IUPAC2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid
SMILESNc1nc(C(F)(F)F)ccc1C(=O)O.O=NO
InChIInChI=1S/C7H5F3N2O2.HNO2/c8-7(9,10)4-2-1-3(6(13)14)5(11)12-4;2-1-3/h1-2H,(H2,11,12)(H,13,14);(H,2,3)
InChIKeySITTUDUVQWJSHY-UHFFFAOYSA-N
MW253.14 g/mol
LogP1.52
Rot. Bonds1

About 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid

2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid (PubChem CID 174707233) has the molecular formula C7H6F3N3O4 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid.

Molecular Properties

Compound Name2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid
PubChem CID174707233
Molecular FormulaC7H6F3N3O4
Molecular Weight253.14 g/mol
Exact Mass253.03
IUPAC Name2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid
SMILESNc1nc(C(F)(F)F)ccc1C(=O)O.O=NO
InChIInChI=1S/C7H5F3N2O2.HNO2/c8-7(9,10)4-2-1-3(6(13)14)5(11)12-4;2-1-3/h1-2H,(H2,11,12)(H,13,14);(H,2,3)
InChIKeySITTUDUVQWJSHY-UHFFFAOYSA-N
XLogP1.52
TPSA125.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 51.52
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 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid?
The IUPAC name of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid (CID 174707233) is 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid.
What is the SMILES notation for 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid?
The canonical SMILES for 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid is Nc1nc(C(F)(F)F)ccc1C(=O)O.O=NO.
What is the InChIKey of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid?
The InChIKey is SITTUDUVQWJSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2.HNO2/c8-7(9,10)4-2-1-3(6(13)14)5(11)12-4;2-1-3/h1-2H,(H2,11,12)(H,13,14);(H,2,3).
What are the key properties of 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid?
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid has a molecular weight of 253.14 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;nitrous acid is sourced from PubChem (CID 174707233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).