ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate

C11H12FNO3 — CID 170618995

IUPACethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C\c1cccc(OC)n1
InChIInChI=1S/C11H12FNO3/c1-3-16-11(14)9(12)7-8-5-4-6-10(13-8)15-2/h4-7H,3H2,1-2H3/b9-7+
InChIKeyWANOZMSFSUZZEW-VQHVLOKHSA-N
MW225.22 g/mol
LogP1.96
Rot. Bonds4

About ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate

ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate (PubChem CID 170618995) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate
PubChem CID170618995
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Nameethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C\c1cccc(OC)n1
InChIInChI=1S/C11H12FNO3/c1-3-16-11(14)9(12)7-8-5-4-6-10(13-8)15-2/h4-7H,3H2,1-2H3/b9-7+
InChIKeyWANOZMSFSUZZEW-VQHVLOKHSA-N
XLogP1.96
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate?
The IUPAC name of ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate (CID 170618995) is ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate is CCOC(=O)/C(F)=C\c1cccc(OC)n1.
What is the InChIKey of ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate?
The InChIKey is WANOZMSFSUZZEW-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-3-16-11(14)9(12)7-8-5-4-6-10(13-8)15-2/h4-7H,3H2,1-2H3/b9-7+.
What are the key properties of ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate?
ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate has a molecular weight of 225.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-fluoro-3-(6-methoxy-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 170618995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).