N-(6-fluoropyrazin-2-yl)prop-2-enamide

C7H6FN3O — CID 167765847

IUPACN-(6-fluoropyrazin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cncc(F)n1
InChIInChI=1S/C7H6FN3O/c1-2-7(12)11-6-4-9-3-5(8)10-6/h2-4H,1H2,(H,10,11,12)
InChIKeyWIHOHBCPKCKRII-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.74
Rot. Bonds2

About N-(6-fluoropyrazin-2-yl)prop-2-enamide

N-(6-fluoropyrazin-2-yl)prop-2-enamide (PubChem CID 167765847) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is N-(6-fluoropyrazin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-fluoropyrazin-2-yl)prop-2-enamide
PubChem CID167765847
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC NameN-(6-fluoropyrazin-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cncc(F)n1
InChIInChI=1S/C7H6FN3O/c1-2-7(12)11-6-4-9-3-5(8)10-6/h2-4H,1H2,(H,10,11,12)
InChIKeyWIHOHBCPKCKRII-UHFFFAOYSA-N
XLogP0.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoropyrazin-2-yl)prop-2-enamide?
The IUPAC name of N-(6-fluoropyrazin-2-yl)prop-2-enamide (CID 167765847) is N-(6-fluoropyrazin-2-yl)prop-2-enamide.
What is the SMILES notation for N-(6-fluoropyrazin-2-yl)prop-2-enamide?
The canonical SMILES for N-(6-fluoropyrazin-2-yl)prop-2-enamide is C=CC(=O)Nc1cncc(F)n1.
What is the InChIKey of N-(6-fluoropyrazin-2-yl)prop-2-enamide?
The InChIKey is WIHOHBCPKCKRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c1-2-7(12)11-6-4-9-3-5(8)10-6/h2-4H,1H2,(H,10,11,12).
What are the key properties of N-(6-fluoropyrazin-2-yl)prop-2-enamide?
N-(6-fluoropyrazin-2-yl)prop-2-enamide has a molecular weight of 167.14 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoropyrazin-2-yl)prop-2-enamide is sourced from PubChem (CID 167765847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).