(Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid

C14H10FNO4 — CID 135541342

IUPAC(Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C14H10FNO4/c15-9-1-4-11(5-2-9)20-12-6-3-10(16-8-12)7-13(17)14(18)19/h1-8,17H,(H,18,19)/b13-7-
InChIKeyLQEDRFZJSDQXRA-QPEQYQDCSA-N
MW275.24 g/mol
LogP3.00
Rot. Bonds4

About (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid

(Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid (PubChem CID 135541342) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid
PubChem CID135541342
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name(Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C14H10FNO4/c15-9-1-4-11(5-2-9)20-12-6-3-10(16-8-12)7-13(17)14(18)19/h1-8,17H,(H,18,19)/b13-7-
InChIKeyLQEDRFZJSDQXRA-QPEQYQDCSA-N
XLogP3.00
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The IUPAC name of (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid (CID 135541342) is (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The canonical SMILES for (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid is O=C(O)/C(O)=C/c1ccc(Oc2ccc(F)cc2)cn1.
What is the InChIKey of (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The InChIKey is LQEDRFZJSDQXRA-QPEQYQDCSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-9-1-4-11(5-2-9)20-12-6-3-10(16-8-12)7-13(17)14(18)19/h1-8,17H,(H,18,19)/b13-7-.
What are the key properties of (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
(Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid has a molecular weight of 275.24 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(4-fluorophenoxy)-2-pyridinyl]-2-hydroxyprop-2-enoic acid is sourced from PubChem (CID 135541342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).