(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid

C14H10FNO3 — CID 21287966

IUPAC(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C14H10FNO3/c15-11-3-5-12(6-4-11)19-13-7-1-10(9-16-13)2-8-14(17)18/h1-9H,(H,17,18)/b8-2+
InChIKeyLUPAPHUURXKJMV-KRXBUXKQSA-N
MW259.24 g/mol
LogP3.11
Rot. Bonds4

About (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid

(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid (PubChem CID 21287966) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
PubChem CID21287966
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C14H10FNO3/c15-11-3-5-12(6-4-11)19-13-7-1-10(9-16-13)2-8-14(17)18/h1-9H,(H,17,18)/b8-2+
InChIKeyLUPAPHUURXKJMV-KRXBUXKQSA-N
XLogP3.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[6-(4-methylsulfanylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632893
(E)-3-[6-(2-bromo-4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632966
(E)-3-[6-(3,4-dimethylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632890
(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid
CID 67696229
(E)-3-[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]prop-2-enoic acid
CID 116802424
(E)-3-[6-[3-(dimethylamino)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 80638679
(E)-3-[6-(3-cyanophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80633791
3-(6-phenoxy-3-pyridinyl)-N-phenylprop-2-enamide
CID 68716824
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55713791
(E)-3-[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80633344
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
CID 95473874
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid (CID 21287966) is (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is LUPAPHUURXKJMV-KRXBUXKQSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-11-3-5-12(6-4-11)19-13-7-1-10(9-16-13)2-8-14(17)18/h1-9H,(H,17,18)/b8-2+.
What are the key properties of (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid?
(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 259.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 21287966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).