[3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate

C14H10FNO2 — CID 175171245

IUPAC[3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccncc1-c1ccc(F)cc1
InChIInChI=1S/C14H10FNO2/c1-2-14(17)18-13-7-8-16-9-12(13)10-3-5-11(15)6-4-10/h2-9H,1H2
InChIKeyXJFHOTDIIUMVDR-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.98
Rot. Bonds3

About [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate

[3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate (PubChem CID 175171245) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate
PubChem CID175171245
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name[3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccncc1-c1ccc(F)cc1
InChIInChI=1S/C14H10FNO2/c1-2-14(17)18-13-7-8-16-9-12(13)10-3-5-11(15)6-4-10/h2-9H,1H2
InChIKeyXJFHOTDIIUMVDR-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate?
The IUPAC name of [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate (CID 175171245) is [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate.
What is the SMILES notation for [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate?
The canonical SMILES for [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate is C=CC(=O)Oc1ccncc1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate?
The InChIKey is XJFHOTDIIUMVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-2-14(17)18-13-7-8-16-9-12(13)10-3-5-11(15)6-4-10/h2-9H,1H2.
What are the key properties of [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate?
[3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate has a molecular weight of 243.24 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-pyridinyl] prop-2-enoate is sourced from PubChem (CID 175171245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).