ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate

C11H12FNO2 — CID 169480130

IUPACethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc(F)c(C)c1
InChIInChI=1S/C11H12FNO2/c1-3-15-10(14)5-4-9-6-8(2)11(12)13-7-9/h4-7H,3H2,1-2H3
InChIKeyDOSLRMTWSBETPL-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.11
Rot. Bonds3

About ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate

ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate (PubChem CID 169480130) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate
PubChem CID169480130
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Nameethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cnc(F)c(C)c1
InChIInChI=1S/C11H12FNO2/c1-3-15-10(14)5-4-9-6-8(2)11(12)13-7-9/h4-7H,3H2,1-2H3
InChIKeyDOSLRMTWSBETPL-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-methylsulfanylpyrimidin-5-yl)prop-2-enoate
CID 169480084
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
ethyl (E)-3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 134511046
ethyl 3-(5-chloro-3-pyridinyl)prop-2-enoate
CID 72747217
ethyl 3-(1H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enoate
CID 169480456
ethyl 3-(2-cyanopyrimidin-5-yl)prop-2-enoate
CID 169480203
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethyl (E)-3-[3,5-difluoro-4-(hydroxymethyl)phenyl]prop-2-enoate
CID 118464785
ethyl (E)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate
CID 175662950
ethyl 3-(1H-pyrazol-4-yl)prop-2-enoate
CID 123975493
ethyl 3-(3-chloro-5-fluorophenyl)prop-2-enoate
CID 91491190
ethyl (E)-3-(3-chloro-5-fluorophenyl)prop-2-enoate
CID 86611645

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate (CID 169480130) is ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate is CCOC(=O)C=Cc1cnc(F)c(C)c1.
What is the InChIKey of ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate?
The InChIKey is DOSLRMTWSBETPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-3-15-10(14)5-4-9-6-8(2)11(12)13-7-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate?
ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate has a molecular weight of 209.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-fluoro-5-methyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 169480130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).