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

C15H12FNO3 — CID 135541340

IUPAC(Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(Cc2ccc(F)cc2)cn1
InChIInChI=1S/C15H12FNO3/c16-12-4-1-10(2-5-12)7-11-3-6-13(17-9-11)8-14(18)15(19)20/h1-6,8-9,18H,7H2,(H,19,20)/b14-8-
InChIKeyFNDAADJVCGRKPV-ZSOIEALJSA-N
MW273.26 g/mol
LogP2.80
Rot. Bonds4

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

(Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid (PubChem CID 135541340) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
PubChem CID135541340
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name(Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(Cc2ccc(F)cc2)cn1
InChIInChI=1S/C15H12FNO3/c16-12-4-1-10(2-5-12)7-11-3-6-13(17-9-11)8-14(18)15(19)20/h1-6,8-9,18H,7H2,(H,19,20)/b14-8-
InChIKeyFNDAADJVCGRKPV-ZSOIEALJSA-N
XLogP2.80
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The IUPAC name of (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid (CID 135541340) is (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The canonical SMILES for (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid is O=C(O)/C(O)=C/c1ccc(Cc2ccc(F)cc2)cn1.
What is the InChIKey of (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The InChIKey is FNDAADJVCGRKPV-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-4-1-10(2-5-12)7-11-3-6-13(17-9-11)8-14(18)15(19)20/h1-6,8-9,18H,7H2,(H,19,20)/b14-8-.
What are the key properties of (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
(Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid has a molecular weight of 273.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid is sourced from PubChem (CID 135541340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).