(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one

C14H10FNO — CID 71307712

IUPAC(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C14H10FNO/c15-12-7-4-11(5-8-12)6-9-14(17)13-3-1-2-10-16-13/h1-10H/b9-6+
InChIKeyFJZMVIVREKGOAX-RMKNXTFCSA-N
MW227.24 g/mol
LogP3.12
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one

(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 71307712) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
PubChem CID71307712
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C14H10FNO/c15-12-7-4-11(5-8-12)6-9-14(17)13-3-1-2-10-16-13/h1-10H/b9-6+
InChIKeyFJZMVIVREKGOAX-RMKNXTFCSA-N
XLogP3.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one
CID 146001170
(E)-3-(3,4-dihydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 137079315
3-[4-(2-hydroxyethoxy)phenyl]-1-pyridin-2-ylprop-2-en-1-one
CID 67799567
3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide
CID 4513066
3-(3-aminophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 3049495
(Z)-3-(1,3-benzodioxol-5-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 51663355
(E)-3-(3-ethoxy-4-hydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 82185212
3-[3-(3,5-dimethylphenyl)phenyl]-1-pyridin-2-ylprop-2-en-1-one
CID 166064540
(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one
CID 102284803
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
CID 76869971
(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
CID 91870939

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one (CID 71307712) is (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one?
The InChIKey is FJZMVIVREKGOAX-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H10FNO/c15-12-7-4-11(5-8-12)6-9-14(17)13-3-1-2-10-16-13/h1-10H/b9-6+.
What are the key properties of (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one?
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 227.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 71307712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).