ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate

C10H11FN2O2 — CID 170619052

IUPACethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1cncc(C)n1
InChIInChI=1S/C10H11FN2O2/c1-3-15-10(14)9(11)4-8-6-12-5-7(2)13-8/h4-6H,3H2,1-2H3/b9-4-
InChIKeyAPPSCEFOVIYJDE-WTKPLQERSA-N
MW210.21 g/mol
LogP1.66
Rot. Bonds3

About ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate

ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate (PubChem CID 170619052) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate
PubChem CID170619052
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Nameethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1cncc(C)n1
InChIInChI=1S/C10H11FN2O2/c1-3-15-10(14)9(11)4-8-6-12-5-7(2)13-8/h4-6H,3H2,1-2H3/b9-4-
InChIKeyAPPSCEFOVIYJDE-WTKPLQERSA-N
XLogP1.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoic acid
CID 170439155
ethyl (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 69362897
ethyl (Z)-3-(5-bromo-2-pyridinyl)-2-fluoroprop-2-enoate
CID 170618956
ethyl (E)-2-fluorobut-2-enoate
CID 15594785
4-(6-methylpyrazin-2-yl)but-3-enamide
CID 170797338
sodium;ethyl 2-fluoro-3-hydroxyprop-2-enoate;hydride
CID 173046033
ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 170619156
ethyl (Z)-2-fluoro-3-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enoate
CID 170939598
ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
CID 101333146
ethyl (Z)-2-fluoropent-2-enoate
CID 14691806
3-(6-methylpyrazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170805785
ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate
CID 641319

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate (CID 170619052) is ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate is CCOC(=O)/C(F)=C/c1cncc(C)n1.
What is the InChIKey of ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate?
The InChIKey is APPSCEFOVIYJDE-WTKPLQERSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-3-15-10(14)9(11)4-8-6-12-5-7(2)13-8/h4-6H,3H2,1-2H3/b9-4-.
What are the key properties of ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate?
ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate has a molecular weight of 210.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluoro-3-(6-methylpyrazin-2-yl)prop-2-enoate is sourced from PubChem (CID 170619052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).