ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate

C11H12FNO2 — CID 170619156

IUPACethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1ncccc1C
InChIInChI=1S/C11H12FNO2/c1-3-15-11(14)9(12)7-10-8(2)5-4-6-13-10/h4-7H,3H2,1-2H3/b9-7-
InChIKeyHEORYVMUQNEPRA-CLFYSBASSA-N
MW209.22 g/mol
LogP2.26
Rot. Bonds3

About ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate

ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate (PubChem CID 170619156) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate
PubChem CID170619156
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Nameethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1ncccc1C
InChIInChI=1S/C11H12FNO2/c1-3-15-11(14)9(12)7-10-8(2)5-4-6-13-10/h4-7H,3H2,1-2H3/b9-7-
InChIKeyHEORYVMUQNEPRA-CLFYSBASSA-N
XLogP2.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-2-cyano-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 167037200
ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
CID 53419388
(E)-3-(3-methyl-2-pyridinyl)prop-2-enamide
CID 55267603
ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
CID 101333146
ethyl (Z)-3-(5-bromo-2-pyridinyl)-2-fluoroprop-2-enoate
CID 170618956
ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate
CID 641319
ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051602
ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate
CID 625408
3-[4-(3-ethoxy-2-fluoro-3-oxoprop-1-enyl)phenyl]propanoic acid
CID 54391840
ethyl 3-(3-chloro-2-pyridinyl)prop-2-enoate
CID 58678578
ethyl (E)-3-(3-methoxy-2-pyridinyl)prop-2-enoate
CID 15110923
ethyl (E)-2-amino-3-pyridin-2-ylprop-2-enoate
CID 134275499

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate (CID 170619156) is ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate is CCOC(=O)/C(F)=C/c1ncccc1C.
What is the InChIKey of ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate?
The InChIKey is HEORYVMUQNEPRA-CLFYSBASSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-3-15-11(14)9(12)7-10-8(2)5-4-6-13-10/h4-7H,3H2,1-2H3/b9-7-.
What are the key properties of ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate?
ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate has a molecular weight of 209.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 170619156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).