N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid

C7H6F3N3O3 — CID 174836563

IUPACN-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CNc1cnccn1
InChIInChI=1S/C5H5N3O.C2HF3O2/c9-4-8-5-3-6-1-2-7-5;3-2(4,5)1(6)7/h1-4H,(H,7,8,9);(H,6,7)
InChIKeyIHKNHZUPCONPKW-UHFFFAOYSA-N
MW237.14 g/mol
LogP0.68
Rot. Bonds2

About N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid

N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid (PubChem CID 174836563) has the molecular formula C7H6F3N3O3 and a molecular weight of 237.14 g/mol. Its IUPAC name is N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid
PubChem CID174836563
Molecular FormulaC7H6F3N3O3
Molecular Weight237.14 g/mol
Exact Mass237.04
IUPAC NameN-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CNc1cnccn1
InChIInChI=1S/C5H5N3O.C2HF3O2/c9-4-8-5-3-6-1-2-7-5;3-2(4,5)1(6)7/h1-4H,(H,7,8,9);(H,6,7)
InChIKeyIHKNHZUPCONPKW-UHFFFAOYSA-N
XLogP0.68
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid (CID 174836563) is N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=CNc1cnccn1.
What is the InChIKey of N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid?
The InChIKey is IHKNHZUPCONPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.C2HF3O2/c9-4-8-5-3-6-1-2-7-5;3-2(4,5)1(6)7/h1-4H,(H,7,8,9);(H,6,7).
What are the key properties of N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid?
N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid has a molecular weight of 237.14 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-ylformamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174836563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).