(2-fluoro-3-pyridinyl) prop-2-enoate

C8H6FNO2 — CID 174653164

IUPAC(2-fluoro-3-pyridinyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccnc1F
InChIInChI=1S/C8H6FNO2/c1-2-7(11)12-6-4-3-5-10-8(6)9/h2-5H,1H2
InChIKeyQSYSBLYWQYKOTR-UHFFFAOYSA-N
MW167.14 g/mol
LogP1.31
Rot. Bonds2

About (2-fluoro-3-pyridinyl) prop-2-enoate

(2-fluoro-3-pyridinyl) prop-2-enoate (PubChem CID 174653164) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl) prop-2-enoate.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl) prop-2-enoate
PubChem CID174653164
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name(2-fluoro-3-pyridinyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccnc1F
InChIInChI=1S/C8H6FNO2/c1-2-7(11)12-6-4-3-5-10-8(6)9/h2-5H,1H2
InChIKeyQSYSBLYWQYKOTR-UHFFFAOYSA-N
XLogP1.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 51.31
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

(2-methoxyphenyl) prop-2-enoate
CID 22987486
quinolin-4-yl prop-2-enoate
CID 59502728
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
[3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate
CID 175171245
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
(2-fluoropyrimidin-4-yl) prop-2-enoate
CID 170562816
naphthalen-1-yl prop-2-enoate
CID 10192638
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
dibenzo-p-dioxin-1-yl prop-2-enoate
CID 23056269
CID 67461549
CID 67461549
(2-nitrooxyphenyl) prop-2-enoate
CID 142166891
(2-carbazol-9-ylphenyl) prop-2-enoate
CID 174212207

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-pyridinyl) prop-2-enoate?
The IUPAC name of (2-fluoro-3-pyridinyl) prop-2-enoate (CID 174653164) is (2-fluoro-3-pyridinyl) prop-2-enoate.
What is the SMILES notation for (2-fluoro-3-pyridinyl) prop-2-enoate?
The canonical SMILES for (2-fluoro-3-pyridinyl) prop-2-enoate is C=CC(=O)Oc1cccnc1F.
What is the InChIKey of (2-fluoro-3-pyridinyl) prop-2-enoate?
The InChIKey is QSYSBLYWQYKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c1-2-7(11)12-6-4-3-5-10-8(6)9/h2-5H,1H2.
What are the key properties of (2-fluoro-3-pyridinyl) prop-2-enoate?
(2-fluoro-3-pyridinyl) prop-2-enoate has a molecular weight of 167.14 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyridinyl) prop-2-enoate is sourced from PubChem (CID 174653164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).