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

C15H12FNO4 — CID 135411108

IUPAC(Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(OCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H12FNO4/c16-11-3-1-10(2-4-11)9-21-13-6-5-12(17-8-13)7-14(18)15(19)20/h1-8,18H,9H2,(H,19,20)/b14-7-
InChIKeyWWVLJUFRWRSCOL-AUWJEWJLSA-N
MW289.26 g/mol
LogP2.78
Rot. Bonds5

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

(Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid (PubChem CID 135411108) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is (Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
PubChem CID135411108
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name(Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(OCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H12FNO4/c16-11-3-1-10(2-4-11)9-21-13-6-5-12(17-8-13)7-14(18)15(19)20/h1-8,18H,9H2,(H,19,20)/b14-7-
InChIKeyWWVLJUFRWRSCOL-AUWJEWJLSA-N
XLogP2.78
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.78
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-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The IUPAC name of (Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid (CID 135411108) is (Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The canonical SMILES for (Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid is O=C(O)/C(O)=C/c1ccc(OCc2ccc(F)cc2)cn1.
What is the InChIKey of (Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The InChIKey is WWVLJUFRWRSCOL-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-11-3-1-10(2-4-11)9-21-13-6-5-12(17-8-13)7-14(18)15(19)20/h1-8,18H,9H2,(H,19,20)/b14-7-.
What are the key properties of (Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
(Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]-2-hydroxyprop-2-enoic acid is sourced from PubChem (CID 135411108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).