(E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid

C14H11NO3 — CID 143887277

IUPAC(E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C14H11NO3/c16-11-6-4-10(5-7-11)9-12(14(17)18)13-3-1-2-8-15-13/h1-9,16H,(H,17,18)/b12-9+
InChIKeyXKKQRXGXIGUWKG-FMIVXFBMSA-N
MW241.25 g/mol
LogP2.41
Rot. Bonds3

About (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid

(E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid (PubChem CID 143887277) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid
PubChem CID143887277
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name(E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C14H11NO3/c16-11-6-4-10(5-7-11)9-12(14(17)18)13-3-1-2-8-15-13/h1-9,16H,(H,17,18)/b12-9+
InChIKeyXKKQRXGXIGUWKG-FMIVXFBMSA-N
XLogP2.41
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid?
The IUPAC name of (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid (CID 143887277) is (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid is O=C(O)/C(=C/c1ccc(O)cc1)c1ccccn1.
What is the InChIKey of (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid?
The InChIKey is XKKQRXGXIGUWKG-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H11NO3/c16-11-6-4-10(5-7-11)9-12(14(17)18)13-3-1-2-8-15-13/h1-9,16H,(H,17,18)/b12-9+.
What are the key properties of (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid?
(E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxyphenyl)-2-pyridin-2-ylprop-2-enoic acid is sourced from PubChem (CID 143887277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).