3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

C10H9ClF3N3O — CID 123261122

IUPAC3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCC(=Cc1cncc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H9ClF3N3O/c1-6(9(18)16-5-10(12,13)14)2-7-3-15-4-8(11)17-7/h2-4H,5H2,1H3,(H,16,18)
InChIKeyPCAOSALRVSDKEM-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.21
Rot. Bonds3

About 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 123261122) has the molecular formula C10H9ClF3N3O and a molecular weight of 279.65 g/mol. Its IUPAC name is 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID123261122
Molecular FormulaC10H9ClF3N3O
Molecular Weight279.65 g/mol
Exact Mass279.04
IUPAC Name3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCC(=Cc1cncc(Cl)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H9ClF3N3O/c1-6(9(18)16-5-10(12,13)14)2-7-3-15-4-8(11)17-7/h2-4H,5H2,1H3,(H,16,18)
InChIKeyPCAOSALRVSDKEM-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.21
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 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 123261122) is 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is CC(=Cc1cncc(Cl)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is PCAOSALRVSDKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O/c1-6(9(18)16-5-10(12,13)14)2-7-3-15-4-8(11)17-7/h2-4H,5H2,1H3,(H,16,18).
What are the key properties of 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 279.65 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrazin-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 123261122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).