(E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid

C14H10FNO3 — CID 82519665

IUPAC(E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C14H10FNO3/c15-11-5-1-9(2-6-11)12-7-3-10(14(19)16-12)4-8-13(17)18/h1-8H,(H,16,19)(H,17,18)/b8-4+
InChIKeyLOVNXBDXMVZCDV-XBXARRHUSA-N
MW259.24 g/mol
LogP2.28
Rot. Bonds3

About (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid

(E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid (PubChem CID 82519665) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid
PubChem CID82519665
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name(E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C14H10FNO3/c15-11-5-1-9(2-6-11)12-7-3-10(14(19)16-12)4-8-13(17)18/h1-8H,(H,16,19)(H,17,18)/b8-4+
InChIKeyLOVNXBDXMVZCDV-XBXARRHUSA-N
XLogP2.28
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid (CID 82519665) is (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid?
The InChIKey is LOVNXBDXMVZCDV-XBXARRHUSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-11-5-1-9(2-6-11)12-7-3-10(14(19)16-12)4-8-13(17)18/h1-8H,(H,16,19)(H,17,18)/b8-4+.
What are the key properties of (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid?
(E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid has a molecular weight of 259.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(4-fluorophenyl)-2-oxo-1H-pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 82519665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).