(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid

C15H13NO2 — CID 19926633

IUPAC(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid
SMILESO=C(O)C/C=C/c1ccccc1-c1ccncc1
InChIInChI=1S/C15H13NO2/c17-15(18)7-3-5-12-4-1-2-6-14(12)13-8-10-16-11-9-13/h1-6,8-11H,7H2,(H,17,18)/b5-3+
InChIKeyBQDTUQUQSYSOQV-HWKANZROSA-N
MW239.27 g/mol
LogP3.24
Rot. Bonds4

About (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid

(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid (PubChem CID 19926633) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid
PubChem CID19926633
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid
SMILESO=C(O)C/C=C/c1ccccc1-c1ccncc1
InChIInChI=1S/C15H13NO2/c17-15(18)7-3-5-12-4-1-2-6-14(12)13-8-10-16-11-9-13/h1-6,8-11H,7H2,(H,17,18)/b5-3+
InChIKeyBQDTUQUQSYSOQV-HWKANZROSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 175341488
4-[2-(1H-pyrazol-5-yl)phenyl]but-3-enoic acid
CID 170484270
(E)-4-(2-aminophenyl)but-3-enoic acid
CID 50852404
4-[2-(2-phenylphenyl)ethenyl]pyridine
CID 141095127
4-[2-[(E)-2-carboxyethenyl]phenyl]but-3-enoic acid
CID 170484079
4-(3-amino-4-pyridinyl)but-3-enoic acid
CID 170483035
4-(2-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483350
methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid
CID 22078522
(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
(E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid
CID 46315662
4-[4-(trifluoromethyl)-3-pyridinyl]but-3-enoic acid
CID 170483925
1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid?
The IUPAC name of (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid (CID 19926633) is (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid.
What is the SMILES notation for (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid?
The canonical SMILES for (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid is O=C(O)C/C=C/c1ccccc1-c1ccncc1.
What is the InChIKey of (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid?
The InChIKey is BQDTUQUQSYSOQV-HWKANZROSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(18)7-3-5-12-4-1-2-6-14(12)13-8-10-16-11-9-13/h1-6,8-11H,7H2,(H,17,18)/b5-3+.
What are the key properties of (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid?
(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid has a molecular weight of 239.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid is sourced from PubChem (CID 19926633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).